Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(OC2(CC(=O)Nc3cccnc3)CCCC2)cc1 |
MW: | 374.462 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.36 |
cLogP: | 3.2055 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-70e4c98a-2
0.764
CHR-SOS-70e4c98a-3
0.721
CHR-SOS-70e4c98a-11
0.704
CHR-SOS-70e4c98a-1
0.676
CHR-SOS-70e4c98a-8
0.667
CHR-SOS-70e4c98a-4
0.633
CHR-SOS-70e4c98a-6
0.614
CHR-SOS-70e4c98a-12
0.598
CHR-SOS-70e4c98a-9
0.588
CHR-SOS-70e4c98a-7
0.543
MED-UNK-e6e8ef8a-6
0.473
MAR-TRE-7f7bb9f0-46
0.462
PET-SGC-d0156db4-2
0.458
CHR-SOS-f7373dd1-4
0.443
CHR-SOS-f7373dd1-5
0.442
CHR-SOS-f7373dd1-1
0.432
CHR-SOS-f7373dd1-2
0.430
CHR-SOS-59746812-2
0.425
CHR-SOS-59746812-6
0.420
CHR-SOS-f7373dd1-6
0.417
CHR-SOS-e960e883-2
0.416
CHR-SOS-59746812-1
0.415
CHR-SOS-59746812-3
0.414
JOH-IMS-62aeb97d-5
0.412
CHR-SOS-59746812-5
0.410
CHR-SOS-59746812-4
0.409
CHR-SOS-e960e883-3
0.409
CHR-SOS-f7373dd1-3
0.407
CHR-SOS-e960e883-1
0.407
MAR-TRE-67513f76-81
0.403
CHR-SOS-b301fc01-3
0.402
CHR-SOS-54d5cf3e-8
0.402
KEI-TRE-d5e2018a-92
0.398
MAR-TRE-2fd8122f-2
0.395
CHR-SOS-54d5cf3e-1
0.391
MAK-UNK-b2c98f02-6
0.391
MAK-UNK-ca11b4f7-1
0.391
MAR-TRE-f6f5f473-52
0.391
CHR-SOS-b301fc01-2
0.391
CHR-SOS-1f323c23-6
0.389
MAR-TRE-b77b7921-91
0.388
MAR-TRE-7f7bb9f0-90
0.386
CHR-SOS-54d5cf3e-7
0.385
MAR-TRE-2fd8122f-98
0.384
MAR-TRE-2fd8122f-32
0.382
MED-UNK-e6e8ef8a-5
0.380
KEI-TRE-d5e2018a-14
0.379
WAR-XCH-e55cba98-10
0.379
CHR-SOS-54d5cf3e-3
0.379
ALE-HEI-f28a35b5-14
0.378
CHR-SOS-b301fc01-5
0.378
KEI-TRE-d5e2018a-84
0.376
CHR-SOS-54d5cf3e-6
0.376
CHR-SOS-54d5cf3e-2
0.376
DAR-DIA-842b4336-16
0.375
MAR-TRE-7f7bb9f0-6
0.374
SAN-PRS-52b81272-2
0.373
CHR-SOS-b301fc01-4
0.372
KEI-TRE-d5e2018a-88
0.372
MAR-TRE-74c6519b-56
0.372
MAR-TRE-04c86cea-81
0.372
MAK-UNK-c749d764-27
0.370
CHR-SOS-b301fc01-6
0.370
CHR-SOS-b301fc01-1
0.370
CHR-SOS-54d5cf3e-4
0.368
KEI-TRE-d5e2018a-95
0.368
MAR-TRE-d0525fbf-92
0.368
ALE-HEI-f28a35b5-9
0.367
FRA-FAC-9ed5a63a-1
0.367
MAK-UNK-c749d764-17
0.367
AAR-POS-d2a4d1df-13
0.367
MED-UNK-e6e8ef8a-4
0.366
CHR-SOS-b301fc01-7
0.366
CHR-SOS-54d5cf3e-5
0.365
MAR-TRE-b77b7921-52
0.363
DAR-DIA-842b4336-11
0.362
ALE-HEI-f28a35b5-5
0.362
DAR-DIA-842b4336-12
0.362
ANT-DIA-3c79be55-4
0.361
MAR-TRE-2fd8122f-78
0.361
PET-SGC-1fc12be1-1
0.361
MAR-TRE-2fd8122f-58
0.360
MAR-TRE-b77b7921-85
0.360
KEI-TRE-d5e2018a-4
0.359
MED-UNK-e6e8ef8a-3
0.358
MAR-TRE-d0525fbf-33
0.358
MAR-TRE-67513f76-73
0.357
MAR-TRE-2fd8122f-37
0.356
MAR-TRE-7f7bb9f0-49
0.354
MAR-TRE-3e4e6814-50
0.353
CHA-MCP-85291e1d-2
0.353
MAR-TRE-4b834d9a-16
0.352
MAR-TRE-7f7bb9f0-81
0.352
KEI-TRE-d5e2018a-7
0.352
SAD-SAT-24589cd1-4
0.351
KEI-TRE-d5e2018a-64
0.351
DAR-DIA-842b4336-14
0.349
MAK-UNK-c749d764-13
0.349
CHA-MCP-85291e1d-5
0.349
TAM-UNI-c140e31a-10
0.348