Molecule Details

O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1
piperazine-chloroacetamide Enamine Mcule MolPort Assayed
View on Fragalysis x0770
Molecular Properties
SMILES:
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1
MW: 287.19
Fraction sp3: 0.46
HBA: 2
HBD: 0
Rotatable Bonds: 3
TPSA: 23.55
cLogP: 2.223
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine SCR: Z147647726
Enamine REAL: Z1562119726
Enamine Extended REAL: m_270062____7595862____8147258
Mcule: MCULE-5986320222
MolPort: MolPort-046-872-439
Activity Data
IC50 (µM) - Fluorescence: 3.13741398194606
IC50 (µM) - RapidFire: 0.545448360764436
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.50342817234063
Average Inhibition @ 50 µM - Fluorescence: 108.2425
Average Inhibition @ 20 µM - RapidFire: 99.8384868979829
Average Inhibition @ 50 µM - RapidFire: 100.423677336878
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-04-17
Synthesis Location: enamine
Shipped: 2020-05-07
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
1.000

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

AAR-POS-d2a4d1df-24
0.679

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

MAK-UNK-6ca90168-13
0.667

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

MAT-POS-ee51dedd-1
0.649

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

JOK-SYG-18591e8f-1
0.632

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

PAU-UNI-8cdd41c7-1
0.615

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.608

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

MAK-UNK-7c9d1431-29
0.596

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

SAD-SAT-581007d4-1
0.561

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

SAD-SAT-581007d4-2
0.561

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

SAD-SAT-581007d4-7
0.561

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

MAT-POS-2db6411e-2
0.561

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CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

MED-COV-4280ac29-13
0.548

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Clc1cccc(CN2CCOCC2)c1

AAR-POS-0daf6b7e-29
0.547

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

MAK-UNK-176ca439-3
0.544

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

MAK-UNK-cd94b63c-1
0.544

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C=C(Cc1ccon1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

SEA-TRI-146a67b6-1
0.543

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

MAK-UNK-849bee6c-7
0.529

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O=C(CCl)N1CCN(C(=O)c2cccc(Cl)c2)CC1

MAK-UNK-6ca90168-15
0.526

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

MAK-UNK-849bee6c-9
0.522

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

MAK-UNK-7c9d1431-16
0.516

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

MAR-TRE-6a44bbf2-54
0.516

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

MAK-UNK-7c9d1431-14
0.516

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

SAD-SAT-5b1897b2-5
0.516

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CC1(C)CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

DAN-LON-a5fc619e-2
0.516

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NC(=O)C1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

DAN-LON-a5fc619e-1
0.516

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CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

DAN-LON-a5fc619e-4
0.515

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

TAM-UNI-d1c3dd9f-12
0.514

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O=C(CCl)N1CCN(c2cccc(Cl)c2)CC1

SAD-SAT-65574d3f-9
0.509

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.509

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.509

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.509

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O=C(CCl)N1CCN(C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1

MED-COV-4280ac29-6
0.508

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

MED-COV-4280ac29-33
0.508

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

SAD-SAT-581007d4-3
0.508

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1c1ccccc1

DAN-LON-a5fc619e-5
0.507

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

MAK-UNK-849bee6c-16
0.507

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

MAK-UNK-849bee6c-14
0.500

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

MAK-UNK-6ca90168-14
0.500

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

MAK-UNK-176ca439-2
0.500

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C=C(Cc1ccno1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

SEA-TRI-9e600f3c-1
0.500

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@@H]1Cc1ccccc1

DAN-LON-a5fc619e-10
0.500

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

MAK-UNK-e4a48a85-7
0.493

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NC(=O)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

SAD-SAT-c989feaa-5
0.493

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

PAU-UNI-19862c28-1
0.493

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

DAR-DIA-fb20be43-8
0.493

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC(c2cc(O)ccc2O)C1

AVI-UNI-70b60925-1
0.487

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

MAK-UNK-849bee6c-4
0.486

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

MAK-UNK-849bee6c-12
0.486

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

MAK-UNK-7c9d1431-18
0.485

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

AHN-SAT-de2502ba-15
0.484

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

JIA-UNI-93b03cae-1
0.483

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

MAK-UNK-849bee6c-6
0.480

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

MAK-UNK-849bee6c-5
0.480

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C(c2ccc(Cl)cc2)C1

DAN-LON-a5fc619e-6
0.479

View
CC(=O)N[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

SAD-SAT-c989feaa-3
0.478

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

LON-WEI-8f408cad-5
0.475

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

AAR-POS-0daf6b7e-17
0.475

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

MAK-UNK-7c9d1431-28
0.475

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

AAR-POS-0daf6b7e-2
0.475

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N#Cc1nccc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-17
0.474

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

MAK-UNK-849bee6c-3
0.474

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

MAK-UNK-176ca439-4
0.474

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

MAK-UNK-3c359d2a-1
0.474

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@@H]1Cc1ccc(O)cc1

MED-COV-4280ac29-2
0.472

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

MAK-UNK-10dfa458-45
0.468

View
CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

DAN-LON-a5fc619e-3
0.465

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

SEL-UNI-cd366922-7
0.464

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N#Cc1nccc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-8
0.462

View
Clc1cccc(CN2CCC(c3ccc4cc3C4)CC2)c1

SAD-SAT-7d5528d9-21
0.462

View
Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.459

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C(c2cccs2)C1

DAN-LON-a5fc619e-9
0.458

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

TAM-UNI-d1c3dd9f-6
0.458

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

STE-KUL-2e0d2e88-7
0.456

View
N#Cc1nccc(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-13
0.456

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

MAK-UNK-af83ef51-1
0.455

View
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1

DAR-DIA-3e9bbd81-12
0.455

View
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1

GIA-UNK-7337c2f3-2
0.455

View
O=C(CCl)N1CCN(C(F)(F)c2cccc(Cl)c2)CC1

MED-COV-4280ac29-29
0.453

View
O=C(CCl)N1CCN(C2(c3cccc(Cl)c3)CC2)CC1

MED-COV-4280ac29-12
0.453

View
CC(C)(C)NC(=O)[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1

DAN-LON-a5fc619e-7
0.452

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

NEH-REV-107bcf72-5
0.452

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

JOO-PER-58e158bd-1
0.451

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

SAD-SAT-bc31ec01-1
0.450

View
CN(c1cccc(CN2CCN(C(=O)CCl)CC2)c1)c1ccnc(C#N)n1

MAK-UNK-849bee6c-15
0.450

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

MED-COV-4280ac29-37
0.449

View
O=C(CCl)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2)CC1

MED-COV-4280ac29-18
0.448

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

MAR-LAB-ca4662a6-2
0.443

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

JOH-UNI-27ac80fd-23
0.443

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

AAR-POS-0daf6b7e-12
0.443

View
CCNC1CC(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)CCC1OC#N

MAK-UNK-af83ef51-19
0.442

View
NC(=O)CCCCC(=O)N1CCN(Cc2cccc(F)c2)CC1

VIT-UNK-2a0afa28-3
0.441

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

MED-COV-4280ac29-31
0.439

View
O=C(CCl)N1CC2CC1CN2Cc1cccc(Cl)c1

DAN-LON-a5fc619e-8
0.439

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

AAR-POS-d2a4d1df-40
0.439

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

SAD-SAT-581007d4-4
0.439

View
CCNC(COc1cccc(CN2CCN(C(=O)CCl)CC2)c1)OCC#N

MAK-UNK-af83ef51-20
0.439

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

TAM-UNI-d1c3dd9f-5
0.438

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

MAK-UNK-7c9d1431-21
0.438

View
O=C(CCl)N1CCN([C@@H](c2cccc(Cl)c2)c2ccc(Cl)s2)CC1

SEA-TRI-8222e606-1
0.437

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

1.000

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

0.780

View
NCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.765

View
CCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.765

View
NCCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.750

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

0.736

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

0.736

View
CSCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.736

View
O=C(CC1=CC=CC(Cl)=C1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.722

View
CCCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.722

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

0.722

View
CC(=O)CCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.722

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

0.722

View
NC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.720

View
CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.720

View
N#CCC(=O)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.709

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

0.709

View
COCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.709

View
O=C(CC1CC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.709

View
NOCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.709

View
CNCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.709

View
CS(=O)(=O)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.709

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

0.702

View
O=C(CCC1=CC(Cl)=CC=C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.696

View
NC(=O)CCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.696

View
COC(=O)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.696

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

0.690

View
O=C(CC1=CC=CC=C1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.684

View
O=C(CN1CCCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.684

View
O=C(CCC(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
CC(F)(F)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
O=C(CSC(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
CCCCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
C[C@H](N)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
NCCCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
CC(N)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

View
C[C@@H](N)CC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.684

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

0.684

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

0.684

View
CC1=CC=CC(CN2CCN(C(=O)CCl)CC2)=C1

0.679

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

0.679

View
O=C(N1CCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.679

View
O=C(CN1CCSSCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.678

View
O=C(CC1=CC=C(Cl)C=C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.672

View
O=C(CN1CCN(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)CC1)N1CCCC1

0.672

View
O=C(CCC(F)(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.672

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

0.672

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

0.672

View
NC(=O)CN1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.672

View
CC(=O)CCCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.672

View
C#CCCC(=O)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.672

View
NC(=O)CSCC(=O)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.672

View
O=C(CSC(F)(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.672

View
O=C(C(=O)N1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCC1

0.667

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

0.667

View
O=C(CN1CCCC1)N1CCN(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)CC1

0.661

View
O=C(CN1CCCCCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.661

View
O=C(CCC(=O)N1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCOCC1

0.661

View
CC(=O)N1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.661

View
CCN1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.661

View
CCC(=O)N1CCCN(CC2=CC=CC(Cl)=C2)CC1

0.661

View
O=C(CO)N1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.661

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

0.661

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

0.661

View
O=C(COC(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.661

View
O=C(CC1CCCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.661

View
O=C(N1CCCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.655

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

0.655

View
O=C(CCC1=CC=CC=C1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.650

View
O=C(CN1CCN(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)CC1)N1CCCCCC1

0.650

View
O=C(CN1CCN(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)CC1)N1CCCCC1

0.650

View
CN1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.650

View
CCC(=O)N1CCN(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.650

View
O=C(CN1CCNCC1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.650

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

0.650

View
O=C(CS(=O)(=O)C(F)F)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.650

View
O=C1CC(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)C1

0.650

View
O=C(CN1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCC1

0.643

View
O=C(C(=O)N1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCCC1

0.643

View
O=C(CC1=CC=C(F)C=C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.639

View
O=C(CCC1=CC=C(Cl)C=C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.639

View
CC1=CC=C(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)C=C1

0.639

View
O=C(CC1=CC=NC=C1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.639

View
O=C(CC1=CC(F)=CC=C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1

0.629

View
O=C(COC1=CC=CC=C1)N1CCN(CC2=CC(Cl)=CC=C2)CC1

0.629

View
O=C(CN1CCCN(CC(=O)N2CCN(CC3=CC(Cl)=CC=C3)CC2)CC1)N1CCCC1

0.629

View
NC1=CC=CC(CC(=O)N2CCN(CC3=CC=CC(Cl)=C3)CC2)=C1

0.629

View
O=C(N1CCN(CC2=CC(Cl)=CC=C2)CC1)C12CC(F)(C1)C2

0.627

View
O=C(CCl)N1CCN(CC2=CC(C(F)(F)F)=CC=C2)CC1

0.621

View
COC1=CC=CC(CN2CCN(C(=O)CCl)CC2)=C1

0.621

View
O=C(CN1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCCC1

0.621

View
CC(=O)N1CCN(C(=O)CN2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.617

View
CN1CCN(C(=O)CN2CCN(CC3=CC=CC(Cl)=C3)CC2)CC1

0.607

View
O=C(CN1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCCCC1

0.600

View
O=C(CN1CCN(CC2=CC(Cl)=CC=C2)CC1)N1CCCCCC1

0.600

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

0.596

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

0.582

View
O=C(CC1=CC=CC(Cl)=C1)N1CCN(CC2=CC(F)=CC=C2)CC1

0.578

View
NC1=CC=CC(CN2CCN(C(=O)CC3=CC=CC(Cl)=C3)CC2)=C1

0.578

View
O=C(CC1=CC=CC(Cl)=C1)N1CCN(CC2=CC=C(Cl)C=C2)CC1

0.548

View
Cl.ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.978

View
Clc1cccc(CN2CCN(CC2)C(=O)C=C)c1

0.667

View
Clc1cccc(CN2CCN(CC2)C(=O)C#C)c1

0.655

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

0.655

View
CC(N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.632

View
CC#CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.621

View
Clc1cccc(CN2CCN(CC2)C(=O)c2ccccc2)c1

0.610

View
Cl.Clc1cccc(CN2CCN(CC2)C(=O)c2ccccc2)c1

0.600

View
OC(=O)C(O)=O.Clc1cccc(CN2CCN(CC2)C(=O)c2ccccc2)c1

0.590

View
Cl.ClCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

0.585

View
Cc1ccc(cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.581

View
Clc1cccc(CN2CCN(CC2)C=O)c1

0.574

View
Cl.Cc1ccc(cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.571

View
Clc1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1

0.453

View
Cl.Clc1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1

0.446

View
CCC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

0.435

View
Clc1ccc(CN2CCN(CC2)C(=O)c2cccc(Cl)c2)cc1

0.431

View
CCN(CC(=O)N1CCNC(=O)C1)Cc1cccc(Cl)c1

0.413

View
Cc1ccc(CN2CCN(CC2)C(=O)c2cccc(Cl)c2)cc1

0.412

View
Cl.Clc1cccc(CN2CCNCC2=O)c1

0.406

View
CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

0.393

View
Clc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cccc(Cl)c1

0.375

View
CCN1CCN(CC1)C(=O)c1cccc(Cl)c1

0.359

View
Clc1ccc(CN2CCN(CC2)C(=O)c2ccccc2)cc1Cl

0.357

View
CCCN1CCN(CC1)C(=O)c1cccc(Cl)c1

0.343

View
CC(=O)N1CCN(CC1)C(=O)c1cccc(Cl)c1

0.339

View
Clc1cccc(c1)C(=O)NCCN1CCN(CC1)C(=O)c1cccc(Cl)c1

0.333

View
Clc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1

0.328

View
CC(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1

0.318

View
Clc1cccc(c1)C(=O)N1CCNCC1

0.317

View
CN1CCN(CC1)C(=O)c1cccc(Cl)c1

0.312

View
Cl.Clc1cccc(c1)C(=O)N1CCNCC1

0.312

View
CC(C)N1CCN(CC1)C(=O)c1cccc(Cl)c1

0.299

View
Clc1ccc(CN2CCN(CC2)C=O)cc1Cl

0.292

View
Clc1cc(Cl)cc(c1)C(=O)N1CCN(CC1)C(=O)c1cc(Cl)cc(Cl)c1

0.259

View
CCN1CCN(CC1)C(=O)c1cc(Cl)cc(Cl)c1

0.258

View
Cl.Clc1cc(Cl)cc(c1)C(=O)NCCN1CCN(CC1)C(=O)c1cc(Cl)cc(Cl)c1

0.231

View
CN1CCN(CC1)C(=O)c1cc(Cl)cc(Cl)c1

0.212

View
Cl.Clc1cc(Cl)cc(c1)C(=O)N1CCNCC1

0.209

View
N1(CC2C=CC=C(Cl)C=2)CCN(C(C)=O)CC1

0.720

View
N1(CC2C=CC=C(Cl)C=2)CCN(C=O)CC1

0.574

View
N1(CC2=CC=CC(Cl)=C2)CCN(C)C(=O)C1

0.483

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

0.443

View
N(CC1C=CC=C(Cl)C=1)(C)CC(N1CCN(C)CC1)=O

0.439

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

0.424

View
N1(CC2=CC(Cl)=CC(Cl)=C2)CCN(C(C)=O)CC1

0.397

View
N1(CC2C=CC(Cl)=C(Cl)C=2)CCN(C(C)=O)CC1

0.393

View
N1(CC2=CC=CC=C2)CCN(C(C)=O)CC1

0.386

View
N1(CC2=CC=C(Cl)C=C2)CCN(C(C)=O)CC1

0.379

View
C(N1CCN(CC)CC1)(=O)C1=CC=CC(Cl)=C1

0.359

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

0.355

View
N1(CC2=C(C)C=CC(Cl)=C2)CCN(C(C)=O)CC1

0.354

View
N1(CC2=C(Cl)C=CC(Cl)=C2)CCN(C(C)=O)CC1

0.354

View
N1(CC2=C(Cl)C=CC=C2)CCN(C(C)=O)CC1

0.312

View
C(N1CCN(C)CC1)(=O)C1=CC=CC(Cl)=C1

0.312

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

0.294

View
N1(CC2=C(Cl)C=C(C)C=C2)CCN(C(C)=O)CC1

0.294

View
N1(CC2=CC=C(Cl)C=C2)CCN(C=O)CC1

0.274

View

Discussion: