Molecular Properties | |
SMILES: | O=C(COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1)NCc1ccc2c(c1)OCO2 |
MW: | 509.1 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.48 |
cLogP: | 1.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-7c9d1431-22
0.494
AAR-POS-d2a4d1df-31
0.488
MAK-UNK-7c9d1431-17
0.460
MAK-UNK-7c9d1431-14
0.444
DRR-IMP-dff87f5e-7
0.442
MAR-TRE-6a44bbf2-78
0.437
MAK-UNK-7c9d1431-13
0.437
DRR-IMP-dff87f5e-3
0.430
AAR-POS-d2a4d1df-44
0.430
DRR-IMP-dff87f5e-9
0.427
MAR-TRE-6a44bbf2-58
0.425
KAY-MCD-d0fe5261-1
0.425
DRR-IMP-dff87f5e-1
0.425
MAK-UNK-7c9d1431-1
0.421
MAR-TRE-6a44bbf2-38
0.421
MAK-UNK-7c9d1431-2
0.412
MAR-TRE-6a44bbf2-36
0.412
AAR-POS-d2a4d1df-27
0.409
MAR-TRE-6a44bbf2-68
0.409
MAR-LAB-efb042c5-5
0.409
JAY-UNK-11f5bdbd-1
0.404
MAK-UNK-7c9d1431-6
0.396
MAK-UNK-c74072e5-8
0.396
DRR-IMP-dff87f5e-6
0.396
MED-COV-4280ac29-5
0.394
BEN-DND-03406596-8
0.394
MAK-UNK-7c9d1431-9
0.386
MAR-TRE-6a44bbf2-21
0.386
JOH-UNI-e19b918c-4
0.385
MAR-TRE-f5c2d31c-59
0.381
PEI-IMP-ca0b2813-2
0.378
SAD-SAT-3a925b8b-2
0.378
MAK-UNK-7c9d1431-10
0.376
MAR-TRE-6a44bbf2-32
0.376
ABB-MCD-f8003a30-1
0.376
BAP-BUY-55f8bcae-1
0.375
DRR-IMP-dff87f5e-2
0.371
MAK-UNK-7c9d1431-3
0.371
SAD-SAT-bc31ec01-5
0.367
MAK-UNK-7c9d1431-8
0.366
MAR-TRE-6a44bbf2-26
0.366
MAR-TRE-fd17a9b8-7
0.365
MAK-UNK-7c9d1431-19
0.365
LON-WEI-5e7d1b3e-10
0.363
LON-WEI-4d77710c-10
0.363
DRR-IMP-dff87f5e-8
0.362
MAR-TRE-d0525fbf-39
0.360
PED-UNI-b79f0f51-2
0.358
PEI-IMP-ca0b2813-3
0.357
MAR-TRE-fd17a9b8-13
0.357
BEN-DND-03406596-10
0.355
LON-WEI-8f408cad-4
0.355
MAR-TRE-6a44bbf2-18
0.355
AAR-POS-d2a4d1df-23
0.355
MAR-TRE-6a44bbf2-31
0.354
MAK-UNK-7c9d1431-5
0.354
MAK-UNK-69bf97dd-9
0.352
MAR-TRE-d0525fbf-52
0.351
TAT-ENA-80bfd3e5-43
0.351
MAR-TRE-6a44bbf2-65
0.351
MAK-UNK-7c9d1431-11
0.351
MAT-POS-ee51dedd-2
0.348
MAR-TRE-d0525fbf-80
0.347
SAD-SAT-bc31ec01-4
0.347
PED-UNI-b79f0f51-1
0.347
SAD-SAT-3a925b8b-3
0.344
MAK-UNK-7c9d1431-4
0.343
IND-SYN-6c8299e8-2
0.343
TAT-ENA-80bfd3e5-25
0.343
MAR-TRE-fd17a9b8-77
0.343
SAD-SAT-f2e2579e-10
0.343
MAK-UNK-d4768348-7
0.340
MAR-TRE-6a44bbf2-49
0.340
MAR-TRE-6a44bbf2-45
0.340
MAK-UNK-7c9d1431-7
0.340
MAK-UNK-7c9d1431-30
0.340
PEI-IMP-ca0b2813-1
0.337
SAD-SAT-bc31ec01-8
0.337
SAD-SAT-f2e2579e-7
0.336
SAD-SAT-3a925b8b-9
0.333
MAK-UNK-d4768348-1
0.333
BEN-DND-03406596-3
0.330
BEN-DND-76ad4ac9-14
0.330
SAD-SAT-f2e2579e-5
0.327
MAR-TRE-6a44bbf2-54
0.327
MAK-UNK-7c9d1431-16
0.327
DRR-IMP-dff87f5e-4
0.326
LON-WEI-4d77710c-55
0.322
LON-WEI-5e7d1b3e-55
0.322
SAD-SAT-9a6c5cf3-5
0.321
AAR-POS-0daf6b7e-15
0.319
MAK-UNK-d4768348-4
0.319
DRR-IMP-db50bf6e-5
0.319
SAD-SAT-f2e2579e-2
0.316
MAK-UNK-d4768348-2
0.316
MAR-TRE-fd17a9b8-44
0.316
MAK-UNK-d4768348-8
0.316
MAK-UNK-7c9d1431-12
0.316
NIM-UNI-05f93fcc-1
0.316
MAK-UNK-d4768348-5
0.316