Molecular Properties | |
SMILES: | COc1cccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1 |
MW: | 397.11 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4127095161 |
MolPort: | MolPort-001-908-850 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-87
0.716
KEI-TRE-d5e2018a-59
0.679
KEI-TRE-d5e2018a-93
0.667
MAR-TRE-4b834d9a-79
0.621
KEI-TRE-d5e2018a-46
0.596
KEI-TRE-d5e2018a-84
0.588
MAR-TRE-74c6519b-56
0.581
KEI-TRE-d5e2018a-88
0.581
KEI-TRE-d5e2018a-95
0.575
MAR-TRE-d0525fbf-92
0.575
KEI-TRE-d5e2018a-75
0.573
KEI-TRE-d5e2018a-50
0.543
MAR-TRE-7f7bb9f0-6
0.517
KEI-TRE-d5e2018a-33
0.511
KEI-TRE-d5e2018a-18
0.511
KEI-TRE-d5e2018a-4
0.500
KEI-TRE-d5e2018a-7
0.494
MAR-TRE-4b834d9a-16
0.494
KEI-TRE-d5e2018a-39
0.490
KEI-TRE-d5e2018a-78
0.490
KEI-TRE-d5e2018a-54
0.483
KEI-TRE-d5e2018a-34
0.456
KEI-TRE-d5e2018a-2
0.442
KEI-TRE-d5e2018a-89
0.438
KEI-TRE-d5e2018a-31
0.438
KEI-TRE-d5e2018a-71
0.436
MAR-TRE-2fd8122f-98
0.432
KEI-TRE-d5e2018a-92
0.429
KEI-TRE-d5e2018a-65
0.426
KEI-TRE-d5e2018a-1
0.417
MAR-TRE-7f7bb9f0-90
0.402
MAR-TRE-67513f76-55
0.402
MAR-TRE-3e4e6814-79
0.396
MAR-TRE-2fd8122f-2
0.396
CHR-SOS-70e4c98a-6
0.395
CHR-SOS-70e4c98a-8
0.386
MAR-TRE-04c86cea-97
0.386
MAR-TRE-d0525fbf-55
0.380
AUS-ARG-7cfdce8f-11
0.378
CHR-SOS-70e4c98a-3
0.378
KEI-TRE-d5e2018a-81
0.378
MAR-TRE-2fd8122f-97
0.378
CHR-SOS-70e4c98a-7
0.375
SAN-PRS-52b81272-2
0.375
JOH-IMS-62aeb97d-5
0.373
CHA-MCP-85291e1d-2
0.371
MAR-TRE-3e4e6814-50
0.371
CHR-SOS-70e4c98a-1
0.370
CHR-SOS-70e4c98a-9
0.367
MAK-UNK-f0bfc2e0-1
0.366
MAR-TRE-67513f76-81
0.365
MAR-TRE-3e4e6814-6
0.365
ASH-UNK-40b46b30-3
0.363
WIL-UNI-5578df48-2
0.362
CHR-SOS-70e4c98a-4
0.360
CHA-MCP-85291e1d-4
0.359
KEI-TRE-d5e2018a-24
0.358
MAK-UNK-ca11b4f7-1
0.355
MAR-TRE-7f7bb9f0-16
0.355
KEI-TRE-d5e2018a-27
0.355
SAD-SAT-24589cd1-4
0.354
KEI-TRE-d5e2018a-67
0.354
CHR-SOS-70e4c98a-12
0.353
WIL-UNI-5578df48-5
0.352
KAY-MCD-59dc2eb3-1
0.351
TAM-UNI-c140e31a-10
0.351
CHR-SOS-70e4c98a-5
0.351
CHR-SOS-e960e883-3
0.351
MAR-TRE-3e4e6814-8
0.349
MAR-TRE-2fd8122f-78
0.348
CHR-SOS-70e4c98a-11
0.347
MAR-TRE-4b834d9a-73
0.347
KEI-TRE-d5e2018a-16
0.347
TAM-UNI-c140e31a-7
0.347
ALE-HEI-f28a35b5-14
0.346
CHR-SOS-f7373dd1-4
0.344
MAR-TRE-7f7bb9f0-46
0.344
EMI-TUK-a58865cc-7
0.344
MAR-TRE-2fd8122f-37
0.344
CHR-SOS-e960e883-2
0.343
AAR-POS-d2a4d1df-11
0.342
SAN-PRS-52b81272-3
0.341
MAR-TRE-7f7bb9f0-49
0.341
WIL-UNI-5578df48-4
0.341
MAR-TRE-04c86cea-46
0.340
TAM-UNI-c140e31a-13
0.340
MAR-TRE-2fd8122f-25
0.339
MAR-TRE-74c6519b-19
0.339
MAK-UNK-c749d764-17
0.337
EMI-TUK-a58865cc-5
0.337
CHR-SOS-f7373dd1-1
0.337
CHA-MCP-85291e1d-5
0.337
KEI-TRE-d5e2018a-29
0.337
KEI-TRE-d5e2018a-45
0.337
EMI-TUK-a58865cc-2
0.337
KEI-TRE-d5e2018a-80
0.337
MAR-TRE-2fd8122f-49
0.337
CHR-SOS-e960e883-1
0.337
TAM-UNI-c140e31a-1
0.337
MAK-UNK-009ebe36-2
0.333