Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1 |
MW: | 441.15 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.0 |
cLogP: | 1.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-f2e2579e-5
0.671
SAD-SAT-9a6c5cf3-5
0.632
SAD-SAT-f2e2579e-8
0.625
SAD-SAT-f2e2579e-2
0.624
SAD-SAT-f2e2579e-10
0.623
SAD-SAT-f2e2579e-9
0.617
SAD-SAT-9a6c5cf3-9
0.613
MAR-TRE-6a44bbf2-68
0.612
MAR-LAB-efb042c5-5
0.612
AAR-POS-d2a4d1df-27
0.612
SAD-SAT-9a6c5cf3-7
0.573
SAD-SAT-9a6c5cf3-6
0.560
SAD-SAT-f2e2579e-7
0.552
SAD-SAT-f2e2579e-1
0.549
BEN-DND-03406596-8
0.533
SAD-SAT-9a6c5cf3-10
0.524
SAD-SAT-f2e2579e-6
0.524
SAD-SAT-f2e2579e-3
0.519
SAD-SAT-f2e2579e-4
0.500
SAD-SAT-9a6c5cf3-4
0.489
MAK-UNK-7c9d1431-22
0.481
MAK-UNK-750cfbcc-3
0.478
MAR-TRE-6a44bbf2-79
0.478
MAK-UNK-750cfbcc-5
0.464
AAR-POS-0daf6b7e-9
0.464
VIR-GIT-7b3d3065-2
0.464
MAK-UNK-c74072e5-8
0.461
MAK-UNK-7c9d1431-17
0.461
MAR-TRE-6a44bbf2-78
0.453
MAK-UNK-7c9d1431-13
0.453
BAP-BUY-55f8bcae-1
0.450
WAR-XCH-79d12f6e-4
0.449
MAK-UNK-69bf97dd-9
0.448
DRR-IMP-dff87f5e-3
0.446
AAR-POS-d2a4d1df-44
0.446
BEN-DND-76ad4ac9-14
0.444
BEN-DND-03406596-3
0.444
MAK-UNK-7c9d1431-6
0.442
KAY-MCD-d0fe5261-1
0.440
MAR-TRE-6a44bbf2-58
0.440
DRR-IMP-dff87f5e-1
0.440
DRR-IMP-dff87f5e-7
0.440
SAD-SAT-9a6c5cf3-1
0.433
MAK-UNK-7c9d1431-9
0.432
MAR-TRE-6a44bbf2-21
0.432
DRR-IMP-dff87f5e-6
0.423
DRR-IMP-dff87f5e-9
0.423
MAK-UNK-750cfbcc-4
0.421
MAR-TRE-6a44bbf2-66
0.421
MAT-POS-b5746674-55
0.413
MAK-UNK-7c9d1431-8
0.405
MAR-TRE-6a44bbf2-26
0.405
PEI-IMP-ca0b2813-2
0.403
BEN-DND-03406596-5
0.398
BEN-DND-03406596-2
0.398
BEN-DND-76ad4ac9-12
0.398
BEN-DND-76ad4ac9-13
0.398
JAY-UNK-11f5bdbd-1
0.397
AAR-POS-0daf6b7e-3
0.395
MAR-TRE-6a44bbf2-13
0.395
RHE-UNK-eb059eb9-1
0.395
WAR-XCH-79d12f6e-6
0.395
AAR-POS-d2a4d1df-36
0.395
BEN-DND-03406596-9
0.393
BEN-DND-76ad4ac9-11
0.393
SIM-SYN-3099a863-3
0.391
MAK-UNK-3f402c2b-5
0.390
MAK-UNK-7c9d1431-7
0.388
MAR-TRE-6a44bbf2-49
0.388
NIM-UNI-05f93fcc-11
0.388
MAK-UNK-7c9d1431-5
0.388
MAR-TRE-6a44bbf2-31
0.388
MAK-UNK-704ed37c-1
0.387
MAK-UNK-7c9d1431-19
0.386
SAD-SAT-3a925b8b-2
0.385
MAR-TRE-6a44bbf2-32
0.383
ABB-MCD-f8003a30-1
0.383
MAK-UNK-704ed37c-3
0.382
SAD-SAT-3a925b8b-3
0.380
BEN-DND-03406596-6
0.379
BEN-DND-76ad4ac9-10
0.379
MAK-UNK-69bf97dd-1
0.379
SIM-SYN-3099a863-2
0.378
SAD-SAT-b55127ae-3
0.378
DRR-IMP-dff87f5e-4
0.377
SAD-SAT-2fd372d1-9
0.376
DAN-MCD-881986d8-1
0.375
MAR-TRE-6a44bbf2-36
0.375
MAK-UNK-7c9d1431-2
0.375
GIA-UNK-eaadd1d4-3
0.373
PEI-IMP-ca0b2813-1
0.370
MAK-UNK-c97f7c8f-1
0.369
MAK-UNK-d4768348-1
0.367
MAT-POS-ee51dedd-2
0.367
MAK-UNK-7c9d1431-10
0.366
MAK-UNK-69bf97dd-8
0.366
MAT-POS-b5746674-57
0.365
MAR-LAB-ff9967db-22
0.364
MAK-UNK-704ed37c-4
0.364
MAK-UNK-7c9d1431-12
0.362