Molecule Details

O=C(CCl)N1CCN(Cc2cscc2Cl)CC1
piperazine-chloroacetamide
Molecular Properties
SMILES:
O=C(CCl)N1CCN(Cc2cscc2Cl)CC1
MW: 292.02
Fraction sp3: 0.55
HBA: 3
HBD: 0
Rotatable Bonds: 3
TPSA: 23.55
cLogP: 2.28
Covalent Warhead: ✔️
Covalent Fragment:
CC(=O)NCCc1c[nH]c2ccc(F)cc12

AAR-POS-d2a4d1df-2

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CN1CCCc2ccc(S(N)(=O)=O)cc21

AAR-POS-d2a4d1df-4

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.518

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.518

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.518

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

NEH-REV-107bcf72-5
0.508

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Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.492

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

MAK-UNK-7c9d1431-29
0.491

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

SAD-SAT-5b1897b2-2
0.483

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

AAR-POS-0daf6b7e-2
0.483

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

PAU-UNI-8cdd41c7-1
0.482

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O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1

SAD-SAT-1b030f84-5
0.474

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.473

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

NEH-REV-107bcf72-3
0.470

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

AAR-POS-d2a4d1df-40
0.469

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

MED-COV-4280ac29-31
0.469

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

SAD-SAT-581007d4-7
0.467

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

SAD-SAT-581007d4-1
0.467

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

MAT-POS-2db6411e-2
0.467

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Nc1csc(O)c1CN1CCN(C(=O)CCl)CC1

ASH-SAT-43770c7d-5
0.459

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O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.458

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O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.458

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

DAR-DIA-fb20be43-8
0.456

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

PAU-UNI-19862c28-1
0.456

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

SAD-SAT-65574d3f-10
0.453

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

AAR-POS-d2a4d1df-35
0.450

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

AAR-POS-0daf6b7e-12
0.450

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

JOH-UNI-27ac80fd-23
0.450

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

MED-COV-4280ac29-15
0.450

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

JOH-UNI-27ac80fd-38
0.448

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

MED-COV-4280ac29-33
0.446

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

AHN-SAT-de2502ba-15
0.444

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

SAD-SAT-581007d4-2
0.443

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

DAR-DIA-fb20be43-2
0.441

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CCNc1ccccc1CN1CCN(C(=O)CCl)CC1

SEL-UNI-cd366922-6
0.439

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

JOO-PER-58e158bd-1
0.437

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

MED-COV-4280ac29-37
0.435

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

MAK-UNK-6ca90168-14
0.433

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O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.433

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

MIH-UNI-e573136b-5
0.433

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N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.431

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O=C(CCl)N1CCN(Cc2scc3ccccc23)CC1

PAU-UNI-b2b6b158-1
0.426

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

MAR-LAB-ca4662a6-2
0.426

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

AAR-POS-d2a4d1df-24
0.419

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

JIA-UNI-93b03cae-1
0.419

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

SAD-SAT-bc31ec01-7
0.418

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COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-7
0.417

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CC(=O)Nc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-6
0.414

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NC(=O)C1CCCN1c1ccccc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-9
0.413

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NC(=O)C1CCCN1c1ccccc1CN1CCN(C(=O)CCl)CC1

DUN-NEW-f8ce3686-2
0.413

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

DAR-DIA-fb20be43-6
0.411

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NS(=O)(=O)c1ccc2cccc(CN3CCN(C(=O)CCl)CC3)c2c1

MIH-UNI-e573136b-4
0.411

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

SAD-SAT-1b030f84-9
0.409

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

MAK-UNK-7c9d1431-14
0.409

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

PAU-UNI-52c0427f-1
0.408

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CNC(=O)Cc1c(C)cccc1CN1CCN(C(=O)CCl)CC1

STE-UNK-13e151dd-1
0.408

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

BRU-LEF-ae0885ba-1
0.408

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-4
0.408

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Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-41
0.403

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

SAD-SAT-581007d4-3
0.403

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Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-20
0.403

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CNC(=O)c1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-17
0.403

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CC(=O)Nc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-18
0.403

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

DAR-DIA-fb20be43-1
0.403

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N#Cc1cnc(CCO)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-35
0.403

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O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

NAU-LAT-64f4b287-3
0.403

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Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccsc1

MAK-UNK-e4a48a85-22
0.403

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NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

DAR-DIA-fb20be43-9
0.400

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NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc2c1

DAR-DIA-fb20be43-12
0.400

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

DAR-DIA-fb20be43-5
0.397

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CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3
0.397

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N#Cc1cnc(NCO)cc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-3
0.397

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NS(=O)(=O)CCNc1ncccc1CN1CCN(C(=O)CCl)CC1

STU-CHA-464c0256-1
0.395

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N#Cc1csc(NCO)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-5
0.394

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

JOK-SYG-18591e8f-1
0.394

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O=C(CCl)N1CCN(Cc2ncc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-20
0.392

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C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.389

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

SEL-UNI-cd366922-7
0.389

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CCNc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-4
0.389

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

SAD-SAT-5b1897b2-5
0.388

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

MAT-POS-ee51dedd-1
0.388

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

MAR-TRE-6a44bbf2-54
0.388

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

MAK-UNK-7c9d1431-16
0.388

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(Cl)cc12

DAR-DIA-fb20be43-15
0.388

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O=C(CCl)N1CCN(Cc2cnc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-21
0.387

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CC(=O)N1CCCc2cccc(CN3CCN(C(=O)CCl)CC3)c2C1

TAM-UNI-d1c3dd9f-13
0.387

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CCNc1cc(CN2CCN(C(=O)CCl)CC2)c(C#N)cn1

DAV-CRI-d1e0885a-2
0.387

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NC(CN1CCN(C(=O)CCl)CC1)C(=O)Nc1ccsc1

MAK-UNK-e4a48a85-1
0.386

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NS(=O)(=O)Cc1nc2cccc(CN3CCN(C(=O)CCl)CC3)c2[nH]1

STU-CHA-0f79177c-1
0.385

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COCCc1cc(Br)sc1CN1CCN(C(=O)CCl)CC1

JOH-UNI-27ac80fd-39
0.384

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O=C(CCl)N1CCN(C(=O)c2ccsc2)CC1

MAK-UNK-6ca90168-20
0.383

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

SAD-SAT-581007d4-4
0.382

View
O=C1Cc2c(cccc2CN2CCN(C(=O)CCl)CC2)CCN1

TAM-UNI-d1c3dd9f-14
0.382

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1C(=O)N1CCC(O)CC1

MAK-UNK-e4a48a85-26
0.382

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)CC1

MAT-POS-ee51dedd-2
0.381

View
O=C(CCl)N1CCN(Cc2cc(Cl)ccc2CNC(=O)N2CCOCC2)CC1

STU-CHA-6cae54d3-1
0.380

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

MAK-UNK-7c9d1431-21
0.379

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

MAK-UNK-af83ef51-1
0.377

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CN(C)C(=O)c1ccc(CNS(C)(=O)=O)c(CN2CCN(C(=O)CCl)CC2)c1

TAM-UNI-d1c3dd9f-4
0.377

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O=C1NCCCc2cccc(CN3CCN(C(=O)CCl)CC3)c21

TAM-UNI-d1c3dd9f-15
0.377

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CNc1nc(CN2CCN(C(=O)CCl)CC2)ncc1-c1ccsc1

MAK-UNK-e4a48a85-23
0.375

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

TAM-UNI-d1c3dd9f-16
0.375

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O=C(CO)N1CCN(Cc2cscc2Cl)CC1

0.757

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CCC(=O)N1CCN(Cc2cscc2Cl)CC1

0.757

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CC(=O)N1CCN(Cc2cscc2Cl)CC1

0.730

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COCC(=O)N1CCN(Cc2cscc2Cl)CC1

0.718

View
O=C(CN1CCCC1)N1CCN(Cc2cscc2Cl)CC1

0.718

View
O=C(N1CCCC1)N1CCN(Cc2cscc2Cl)CC1

0.711

View
O=C(C(=O)N1CCN(Cc2cscc2Cl)CC1)N1CCCC1

0.711

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CC(C)CC(=O)N1CCN(Cc2cscc2Cl)CC1

0.700

View
O=C(CN1CCN(Cc2cscc2Cl)CC1)N1CCCC1

0.692

View
O=C(N1CCCCC1)N1CCN(Cc2cscc2Cl)CC1

0.692

View
COC(=O)N1CCN(Cc2cscc2Cl)CC1

0.692

View
CCC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.683

View
O=C(CN1CCN(Cc2cscc2Cl)CC1)N1CCCCC1

0.675

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O=C(CN1CCN(Cc2cscc2Cl)CC1)N1CCCCCC1

0.675

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CC(C)(C)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.675

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

0.675

View
O=C(C1CC1)N1CCN(Cc2cscc2Cl)CC1

0.675

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CN(C)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.675

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CNC(=O)N1CCN(Cc2cscc2Cl)CC1

0.675

View
O=C(N1CCNCC1)N1CCN(Cc2cscc2Cl)CC1

0.675

View
O=C(CN1CCOCC1)N1CCN(Cc2cscc2Cl)CC1

0.667

View
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cscc2Cl)CC1

0.667

View
CCN(CC)CC(=O)N1CCN(Cc2cscc2Cl)CC1

0.667

View
O=C(Cc1ccccc1)N1CCN(Cc2cscc2Cl)CC1

0.667

View
O=C(COc1ccc(F)cc1)N1CCN(Cc2cscc2Cl)CC1

0.659

View
O=C(C(=O)N1CCN(Cc2cscc2Cl)CC1)N1CCOCC1

0.659

View
CC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.659

View
O=C(N1CCOCC1)N1CCN(Cc2cscc2Cl)CC1

0.659

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O=C(CN1CCCN(Cc2cscc2Cl)CC1)N1CCCC1

0.659

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NC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.659

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O=C(CCl)N1CCN(Cc2ccccc2Cl)CC1

0.658

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CCOC(=O)N1CCN(Cc2cscc2Cl)CC1

0.643

View
O=C(c1ccccc1)N1CCN(Cc2cscc2Cl)CC1

0.643

View
CCNC(=O)N1CCN(Cc2cscc2Cl)CC1

0.643

View
O=C(c1ccc(Cl)cc1)N1CCN(Cc2cscc2Cl)CC1

0.643

View
CCN(CC)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.643

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

0.643

View
CCC(CC)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.643

View
COC(OC)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.643

View
NC(=O)CN1CCN(Cc2cscc2Cl)CC1

0.641

View
O=C(O)CN1CCN(Cc2cscc2Cl)CC1

0.641

View
O=C(Cc1cccs1)N1CCN(Cc2cscc2Cl)CC1

0.636

View
O=C(CCC1CCCC1)N1CCN(Cc2cscc2Cl)CC1

0.636

View
O=C(Cc1ccccc1F)N1CCN(Cc2cscc2Cl)CC1

0.636

View
O=C(CCCc1ccccc1)N1CCN(Cc2cscc2Cl)CC1

0.636

View
Cc1ccc(CC(=O)N2CCN(Cc3cscc3Cl)CC2)cc1

0.636

View
CC(C)CC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.636

View
CC(C)(C)OC(=O)N1CCN(Cc2cscc2Cl)CC1

0.628

View
O=C(c1ccc(F)cc1)N1CCN(Cc2cscc2Cl)CC1

0.628

View
O=C(c1cccs1)N1CCN(Cc2cscc2Cl)CC1

0.628

View
O=C(c1ccsc1)N1CCN(Cc2cscc2Cl)CC1

0.628

View
COC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.628

View
CC(C)(C)NC(=O)N1CCN(Cc2cscc2Cl)CC1

0.628

View
O=C(Cn1cnnn1)N1CCN(Cc2cscc2Cl)CC1

0.622

View
O=C(CC1CCCC1)N1CCCN(Cc2cscc2Cl)CC1

0.622

View
O=C(c1ccc(O)cc1)N1CCN(Cc2cscc2Cl)CC1

0.614

View
O=C(C1CC1)N1CCCN(Cc2cscc2Cl)CC1

0.614

View
Cc1ccc(C(=O)N2CCN(Cc3cscc3Cl)CC2)cc1

0.614

View
CC(C)C(=O)N1CCCN(Cc2cscc2Cl)CC1

0.614

View
O=C(c1c(F)cccc1F)N1CCN(Cc2cscc2Cl)CC1

0.614

View
O=C(c1ccc(Br)cc1)N1CCN(Cc2cscc2Cl)CC1

0.614

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CN1CCN(Cc2cscc2Cl)CC1

0.611

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O=C(O)CCN1CCN(Cc2cscc2Cl)CC1

0.610

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CCN1CCN(C(=O)CC2CCN(Cc3cscc3Cl)CC2)CC1

0.609

View
O=C(Cc1cccc(F)c1)N1CCN(Cc2cscc2Cl)CC1

0.609

View
CC(=O)NCC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.609

View
Clc1cscc1CN1CCCC1

0.600

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CC(C)NC(=O)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.600

View
O=C(NC1CC1)C(=O)N1CCN(Cc2cscc2Cl)CC1

0.600

View
CC(C)COC(=O)N1CCN(Cc2cscc2Cl)CC1

0.600

View
O=C(c1ccccc1F)N1CCN(Cc2cscc2Cl)CC1

0.600

View
CN1CCCC1C(=O)N1CCN(Cc2cscc2Cl)CC1

0.600

View
O=C(O)C1CCN(C(=O)N2CCN(Cc3cscc3Cl)CC2)CC1

0.600

View
CN(C)C(=O)CN1CCN(Cc2cscc2Cl)CC1

0.595

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NC(=O)C1(N)CCN(Cc2cscc2Cl)CC1

0.595

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O=C(O)CN1CCCN(Cc2cscc2Cl)CC1

0.595

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CCN1CCN(Cc2cscc2Cl)CC1

0.595

View
O=C(CC1CCN(Cc2cscc2Cl)CC1)N1CCCC1

0.591

View
O=C(C1CCCO1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
COc1ccc(C(=O)N2CCN(Cc3cscc3Cl)CC2)cc1

0.587

View
O=C(c1ccccc1)N1CCCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccco1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccccc1O)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccccn1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
Cc1ccc(C(=O)N2CCN(Cc3cscc3Cl)CC2)s1

0.587

View
CCc1ccc(C(=O)N2CCN(Cc3cscc3Cl)CC2)cc1

0.587

View
COc1cc(OC)cc(C(=O)N2CCN(Cc3cscc3Cl)CC2)c1

0.587

View
O=C(c1cccc(Cl)c1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1c(F)cccc1Cl)N1CCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccoc1)N1CCN(Cc2cscc2Cl)CC1

0.587

View
CCOC(=O)N1CCCN(Cc2cscc2Cl)CC1

0.587

View
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cscc2Cl)CC1

0.587

View
Cn1cccc1C(=O)N1CCN(Cc2cscc2Cl)CC1

0.587

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

0.585

View
Clc1cscc1CN1CCCCCC1

0.583

View
COc1ccc(CCC(=O)N2CCN(Cc3cscc3Cl)CC2)cc1

0.583

View
O=C(CCc1ccccc1)N1CCCN(Cc2cscc2Cl)CC1

0.583

View

C(N1CCN(CC2C=CSC=2)CC1)(C(Cl)Cl)=O

0.812

View
C(N1CCN(CC2C=CSC=2)CC1)(=O)C

0.797

View
C(N1CCN(CC2C=CSC=2)CC1)(=O)CC

0.754

View
C(N1CCN(CC2C=CSC=2)CC1)(=O)CN(C)C

0.745

View
N1(CC2C=CSC=2)CCN(C=O)CC1

0.740

View


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