Molecular Properties | |
SMILES: | Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1C |
MW: | 294.11 |
Fraction sp3: | 0.47 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 1.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
AAR-POS-d2a4d1df-25
0.596
AHN-SAT-de2502ba-8
0.596
DRR-IMP-db50bf6e-2
0.569
MAK-UNK-6ca90168-15
0.564
DRR-IMP-db50bf6e-3
0.547
DRR-IMP-db50bf6e-1
0.537
MAK-UNK-987948f6-2
0.528
SAD-SAT-3a925b8b-5
0.509
MAK-UNK-6ca90168-20
0.509
MAK-UNK-987948f6-3
0.509
SAD-SAT-581007d4-5
0.475
MAR-TRE-6a44bbf2-26
0.452
MAK-UNK-7c9d1431-8
0.452
SAD-SAT-1b030f84-9
0.442
SAD-SAT-581007d4-6
0.438
MAR-TRE-6a44bbf2-61
0.431
AAR-POS-d2a4d1df-29
0.431
SAD-SAT-3a925b8b-1
0.424
JOH-UNI-27ac80fd-25
0.424
AAR-POS-0daf6b7e-16
0.424
ALE-SYG-bac15da4-2
0.420
MAK-UNK-6ca90168-10
0.417
AAR-POS-0daf6b7e-21
0.417
MAK-UNK-987948f6-5
0.412
MAK-UNK-704ed37c-11
0.408
SAD-SAT-3a925b8b-4
0.407
SAD-SAT-1b030f84-5
0.400
MAK-UNK-6ca90168-4
0.397
AAR-POS-d2a4d1df-24
0.397
YOI-UNK-090ea88a-1
0.392
SAD-SAT-5b1897b2-4
0.387
DRR-IMP-38dce17f-6
0.383
MAK-UNK-6ca90168-18
0.377
MAK-UNK-704ed37c-12
0.377
MAK-UNK-7c9d1431-13
0.375
MAK-UNK-7c9d1431-20
0.375
SAD-SAT-581007d4-2
0.375
MAR-TRE-6a44bbf2-78
0.375
WAR-XCH-79d12f6e-6
0.373
MAR-TRE-6a44bbf2-41
0.373
MAK-UNK-6ca90168-1
0.373
MAR-TRE-6a44bbf2-13
0.373
RHE-UNK-eb059eb9-1
0.373
AAR-POS-0daf6b7e-3
0.373
AAR-POS-d2a4d1df-36
0.373
MAK-UNK-7c9d1431-24
0.373
DRR-IMP-38dce17f-3
0.373
MAK-UNK-7c9d1431-9
0.371
MAR-TRE-6a44bbf2-21
0.371
SAD-SAT-65574d3f-9
0.371
MAK-UNK-987948f6-4
0.370
SAD-SAT-65574d3f-10
0.368
NIR-THE-0d6461ce-9
0.368
TAT-ENA-80bfd3e5-30
0.368
SAD-SAT-5b1897b2-5
0.368
NIR-THE-0d6461ce-1
0.368
MAR-TRE-6a44bbf2-56
0.367
MAK-UNK-7c9d1431-29
0.367
MAR-TRE-6a44bbf2-12
0.364
BEN-DND-76ad4ac9-8
0.364
GIA-UNK-a79af1bc-1
0.364
PAU-UNI-8cdd41c7-1
0.361
MAR-LAB-ca4662a6-2
0.359
AAR-POS-d2a4d1df-27
0.359
JOH-UNI-0e1753c1-3
0.359
MED-COV-4280ac29-15
0.359
HYO-UNK-49a60884-1
0.359
AAR-POS-d2a4d1df-35
0.359
MAR-LAB-efb042c5-5
0.359
MAR-TRE-6a44bbf2-68
0.359
MAK-UNK-6ca90168-16
0.358
MAK-UNK-7c9d1431-21
0.358
VIK-SYN-bf9c9ac8-1
0.357
YOI-UNK-15f562e8-4
0.357
VIK-SYN-bf9c9ac8-2
0.357
SAD-SAT-29425be4-3
0.355
SWA-SYN-d2e6fa14-1
0.354
SWA-SYN-6423ea73-1
0.354
JOK-SYG-18591e8f-1
0.353
MAK-UNK-6ca90168-17
0.352
VIK-SYN-9a3d118a-1
0.351
AAR-POS-0daf6b7e-13
0.349
AAR-POS-0daf6b7e-18
0.349
MAK-UNK-212f693e-8
0.349
AHN-SAT-de2502ba-7
0.349
LON-WEI-8f408cad-7
0.349
MAK-UNK-6ca90168-9
0.348
DRR-IMP-38dce17f-2
0.348
MAT-POS-ee51dedd-1
0.348
SWA-SYN-40d44a84-2
0.346
MAK-UNK-704ed37c-10
0.345
SAD-SAT-1b030f84-8
0.345
SAD-SAT-5b1897b2-9
0.345
MAK-UNK-52a1ef4b-1
0.345
MAT-POS-162a9720-4
0.344
MAK-UNK-6ca90168-14
0.344
DRR-IMP-38dce17f-5
0.344
SAD-SAT-1b030f84-4
0.344
DRR-IMP-38dce17f-7
0.344
MAK-UNK-7c9d1431-11
0.343