Molecule Details

O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
piperazine-chloroacetamide Enamine Mcule MolPort
Molecular Properties
SMILES:
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
MW: 296.09
Fraction sp3: 0.5
HBA: 4
HBD: 0
Rotatable Bonds: 3
TPSA: 42.01
cLogP: 1.3
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine SCR: Z204328178
Enamine REAL: Z204328178
Mcule: MCULE-5020605258
MolPort: MolPort-005-310-737
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

LON-WEI-8f408cad-4

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Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24

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Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-27

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O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

AAR-POS-d2a4d1df-29

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-54
0.724

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-16
0.724

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C=CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

SAD-SAT-2ceae68f-8
0.667

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O=C(CCl)N1CCN(Cc2ccc3c(c2)CCO3)CC1

MAK-UNK-7c9d1431-18
0.576

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OCCOCCN1CCN(Cc2ccc3c(c2)OCO3)CC1

MAR-TRE-fd17a9b8-38
0.537

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O=C1Nc2ccccc2OC1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAT-POS-b5746674-52
0.530

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.517

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.516

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.516

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O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.508

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Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.508

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O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.500

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COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F

SAD-SAT-5b1897b2-5
0.493

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O=C(CCl)NCc1ccc2c(c1)OCO2

AAR-POS-d2a4d1df-31
0.484

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O=C1C=CC(=O)N1Cc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-9
0.484

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O=C(NCc1cccnc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1

MAR-TRE-fd17a9b8-44
0.481

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CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.478

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N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.476

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N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAT-POS-ee51dedd-1
0.471

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O=C(CCl)N1CCN(Cc2cc(O)cc3c2OCO3)CC1

NEH-REV-107bcf72-3
0.465

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O=C(CCl)N1CCN(Cc2cc(F)cc(Cl)c2)CC1

SAD-SAT-581007d4-1
0.462

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Cc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

SAD-SAT-581007d4-2
0.462

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O=C1C=CCN1Cc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-8
0.462

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O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

MAT-POS-2db6411e-2
0.462

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O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

SAD-SAT-581007d4-7
0.462

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O=C(CCl)N1CCN(Cc2ccc(CS(=O)(=O)F)cc2)CC1

JIA-UNI-93b03cae-1
0.462

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CS(=O)(=O)N1CCc2ccc(CN3CCN(C(=O)CCl)CC3)cc2C1

TAM-UNI-d1c3dd9f-5
0.461

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.460

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.460

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.460

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NS(=O)(=O)c1ccc2cc(CN3CCN(C(=O)CCl)CC3)ccc2c1

SEL-UNI-cd366922-7
0.446

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O=C(COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1)NCc1ccc2c(c1)OCO2

DAV-UNK-07f953a2-3
0.444

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COCc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

MED-COV-4280ac29-33
0.443

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CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-176ca439-3
0.442

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CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-cd94b63c-1
0.442

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Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-21
0.441

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Cl[Au+]=c1n(Cc2ccc3c(c2)OCO3)ccn1Cc1ccc2c(c1)OCO2

MAR-TRE-d3c2bf0e-27
0.439

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O=C(CCl)N1CCN(Cc2cccc(CNC(=O)N3CCOCC3)c2)CC1

TAM-UNI-d1c3dd9f-12
0.436

View
O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.433

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.431

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.431

View
O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.431

View
O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-2
0.431

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-23
0.424

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

AAR-POS-0daf6b7e-12
0.424

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Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.424

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CNS(=O)(=O)c1ccc2ccc(CN3CCN(C(=O)CCl)CC3)cc2c1

TAM-UNI-d1c3dd9f-6
0.423

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NS(=O)(=O)c1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

SAD-SAT-581007d4-3
0.423

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Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(S(N)(=O)=O)c1

SAD-SAT-581007d4-4
0.423

View
Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.418

View
O=C(CCl)N1CCN(CC2=CC3OCOC3C=C2)CC1

SAD-SAT-bc31ec01-7
0.417

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C=CC(=O)NCc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-4
0.412

View
N#Cc1ncc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-7
0.410

View
O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.409

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N#Cc1ncc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-9
0.405

View
CC(=O)NCCc1cn(C)c2cc(CN3CCN(C(=O)CCl)CC3)ccc12

TAM-UNI-d1c3dd9f-19
0.405

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.403

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O=C1C=C2CCN(Cc3ccc4c(c3)OCO4)C2C1

JOH-UNI-e19b918c-11
0.403

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O=C(NCCN1CCOCC1)C(=O)NCc1ccc2c(c1)OCO2

MAR-TRE-fd17a9b8-7
0.400

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O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.397

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

DAR-DIA-fb20be43-8
0.395

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

PAU-UNI-19862c28-1
0.395

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CC(=O)Nc1cc(C#N)cc(CN2CCN(C(=O)CCl)CC2)c1

TAM-UNI-d1c3dd9f-16
0.395

View
N#Cc1ncccc1-c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-849bee6c-5
0.393

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N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-6
0.392

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Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

SAD-SAT-5b1897b2-2
0.391

View
CN(c1cnc(C#N)nc1)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-849bee6c-14
0.390

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COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC

SAD-SAT-65574d3f-10
0.389

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O=C(CSCc1cccc(CN2CCN(C(=O)CCl)CC2)c1)CN1CCC(O)CC1

MAK-UNK-e4a48a85-7
0.388

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COCc1cc(CN2CCN(C(=O)CCl)CC2)sc1Br

JOH-UNI-27ac80fd-38
0.387

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CCNc1ncc(F)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-1
0.385

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Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-41
0.384

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-20
0.384

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

MED-COV-4280ac29-31
0.384

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

AAR-POS-d2a4d1df-40
0.384

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-1
0.382

View
O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

DAR-DIA-fb20be43-2
0.382

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-38
0.382

View
O=C(CCl)N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1

STE-KUL-2e0d2e88-7
0.382

View
N#Cc1ncc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-16
0.381

View
N#Cc1ncc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-4
0.381

View
N#Cc1ncc(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-12
0.381

View
CC(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)O

MAR-TRE-e86a56b5-54
0.380

View
O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

AHN-SAT-de2502ba-15
0.380

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc3cnccc23)CC1

JOO-PER-58e158bd-1
0.380

View
COC(=O)C(NS(=O)(=O)NS(N)(=O)=O)c1ccc(CN2CCN(C(=O)CCl)CC2)cc1C

MAK-UNK-af83ef51-14
0.379

View
CC(=O)NCCC1=CNc2cc(CN3CCN(C(=O)CCl)CC3)ccc2C1

SEL-UNI-cd366922-8
0.379

View
CCNc1ccccc1CN1CCN(C(=O)CCl)CC1

SEL-UNI-cd366922-6
0.378

View
COCCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-37
0.377

View
N#Cc1nccc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-6
0.376

View
CNC(=O)C(NCCNC(C)=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-176ca439-2
0.376

View
N#Cc1nccc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-3
0.375

View
O=C1C=C2CCN(Cc3ccc4c(c3)OCO4)C2CC1

JOH-UNI-e19b918c-3
0.375

View
O=C1/C(=C/c2ccc(O)cc2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2

LON-WEI-ff7b210a-1
0.375

View
Cc1cc(CN2CCN(C(=O)CCl)CC2)ccc1NCCNCN1CCC(O)CC1

MAK-UNK-e4a48a85-18
0.375

View
CC(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2

MAR-TRE-fd17a9b8-13
0.373

View
NS(=O)(=O)CCc1ccccc1CN1CCN(C(=O)CCl)CC1

MIH-UNI-e573136b-5
0.373

View
COC1CCCC(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)C1

MAK-UNK-3c359d2a-1
0.372

View
COC1CCCC(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)C1

MAK-UNK-176ca439-4
0.372

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

MAR-TRE-6a44bbf2-36
0.372

View
CC(=O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

1.000

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

0.868

View
O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.775

View
NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.775

View
O=C(CO)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.756

View
CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.756

View
O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.744

View
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.744

View
O=C(CC(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.738

View
O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

0.738

View
O=C(Cc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.738

View
NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.738

View
O=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.733

View
O=C(CCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.727

View
O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(Cl)cc2)CC1

0.727

View
CN(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
O=C(CN1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
O=C(CCO)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
CNCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.721

View
O=C(Cc1c(F)cccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.711

View
C=C(Cl)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.711

View
CCC(CC)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.711

View
CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.707

View
NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.707

View
CC(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
N#CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
COCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCOCC1

0.705

View
CSCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
NC(=O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
O=C(CC1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
CC(C)(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
Cc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.705

View
NOCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.705

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCC1

0.698

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC1

0.698

View
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.696

View
CC(C)(C)OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.696

View
O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.696

View
Cc1cccc(C)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.696

View
O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2cccc(Cl)c2)CC1

0.696

View
O=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.696

View
O=C(N1CCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.690

View
O=C(N1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.690

View
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCC1

0.690

View
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCC1

0.690

View
O=C(Cc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CSC(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CCc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(Cc1ccc(F)c(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CS(=O)(=O)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CCC(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CC(C)(C)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CCC(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CC(F)(F)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CCc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.689

View
CCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CC(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CC(C)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(Cc1ccc(O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CN1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

0.689

View
CC(=O)N1CCN(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

0.689

View
CN1CCN(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

0.689

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccccc2)CC1

0.689

View
CC(N)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
O=C(CN1CCNCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
CCNCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
C[C@H](N)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
NCc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.689

View
O=C(O)COCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
NCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
Nc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.689

View
C[C@@H](N)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.689

View
Cc1noc(Cl)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.688

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCCC1

0.682

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1

0.682

View
O=C(Cc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(CCc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(CC1CC1(Cl)Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(CC1(C(F)(F)F)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(COc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.681

View
O=C(C(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(N1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(N1CCCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(F)(F)F

0.674

View
O=C(O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCCC1

0.674

View
CCCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
CCOCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
COC(=O)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(CSCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1

0.674

View
CSCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.674

View
CN(C)CCNCc1ccc2c(c1)OCO2.Cl.Cl

0.180

View
CCN(CC)CCNCc1ccc2c(c1)OCO2.Cl.Cl

0.180

View
NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.179

View
C#CCN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.179

View
C=CCN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.179

View
CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.178

View
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC.O=C(O)C(=O)O

0.178

View
CCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.178

View
O=C(CN1CCOCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.178

View
CC(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.O=C(O)C(=O)O

0.178

View
CC(C)CNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.178

View
Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.177

View
Cc1cc(C)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.177

View
N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.177

View
CCOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.177

View
O=C(c1cccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.177

View
COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC.Cl

0.174

View
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.173

View
CCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.173

View
CCC(CC)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.173

View
CCCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.173

View
O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2

0.172

View
CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1.Cl

0.172

View
COc1ccc(CNC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC

0.171

View
CC(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.169

View
Cc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.169

View
OCCN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.168

View
CC(C)(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.168

View
CCC(C)(C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.168

View
CC(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.168

View
COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC.O=C(O)C(=O)O

0.167

View
O=C(C1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.167

View
CCN(Cc1ccc2c(c1)OCO2)C(=O)CCl

0.164

View
O=C(c1ccc2c(c1)OCO2)N1CCNCC1

0.163

View
COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1.O=C(O)C(=O)O

0.162

View
O=CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.162

View
CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.162

View
O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.162

View
COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1

0.162

View
COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1

0.162

View
COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC

0.162

View
NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.162

View
COC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.161

View
CCCNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.161

View
CC(C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.161

View
O=C(O)C(=O)O.c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.161

View
O=C(O)C(=O)O.c1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2

0.161

View
COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1.O=C(O)C(=O)O

0.161

View
COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1.O=C(O)C(=O)O

0.161

View
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCc1ccccc1

0.160

View
CN(Cc1ccccc1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.160

View
NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.159

View
CCN(CC)CCN(C)Cc1ccc2c(c1)OCO2

0.158

View
CN(C)CCN(C)Cc1ccc2c(c1)OCO2

0.158

View
COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC

0.157

View
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC

0.157

View
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.157

View
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1

0.157

View
CCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.157

View
O=C(NCCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2

0.157

View
Cl.O=C(c1ccc2c(c1)OCO2)N1CCNCC1

0.157

View
CCOCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.157

View
COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1

0.157

View
CC(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1

0.157

View
CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1

0.157

View
CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

0.157

View
N#CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.151

View
c1cc2c(cc1CN1CCNCC1)OCO2

0.151

View
c1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2

0.151

View
COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.151

View
COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.151

View
CCN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.151

View
c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.151

View
CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.151

View
Oc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.151

View
COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1O

0.151

View
Oc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.151

View
Cc1cccc(CN2CCN(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1

0.150

View
Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.146

View
CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.146

View
Cl.O=C1CNCCN1Cc1ccc2c(c1)OCO2

0.146

View
Cl.Cl.c1cc2c(cc1CN1CCNCC1)OCO2

0.144

View
COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

0.140

View
Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1.Cl

0.139

View
CCN(CC)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.138

View
CCNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1

0.138

View
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

0.134

View
COCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.134

View
CC(C)(C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.128

View
O=C(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.122

View
COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1OC.Cl

0.121

View
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.116

View
CC(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.110

View
C=CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.110

View
Cl.NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.078

View
CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.072

View
O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(Cl)(Cl)Cl

0.048

View
O=C(C(Cl)Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

0.041

View
C(N1CCN(CC2=CC=C3C(OCO3)=C2)CC1)(=O)C

0.955

View
C(N1CCN(CC2=CC=C3C(OCO3)=C2)CC1)(C(Cl)Cl)=O

0.940

View
C(N1CCN(CC2=CC=C3C(OCO3)=C2)CC1)(=O)CC

0.916

View
C(N1CCN(CC2=CC=C3C(OCO3)=C2)CC1)(=O)COC

0.907

View
C(N1CCN(CC2=CC=C3C(OCO3)=C2)CC1)(=O)CN(C)C

0.901

View

Discussion: