Molecular Properties | |
SMILES: | COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl |
MW: | 431.07 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4058882843 |
MolPort: | MolPort-002-006-863 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-50
0.812
KEI-TRE-d5e2018a-87
0.775
KEI-TRE-d5e2018a-54
0.731
MAR-TRE-4b834d9a-79
0.694
KEI-TRE-d5e2018a-64
0.679
KEI-TRE-d5e2018a-93
0.644
KEI-TRE-d5e2018a-75
0.625
KEI-TRE-d5e2018a-84
0.605
KEI-TRE-d5e2018a-33
0.593
KEI-TRE-d5e2018a-46
0.593
KEI-TRE-d5e2018a-18
0.559
KEI-TRE-d5e2018a-39
0.553
KEI-TRE-d5e2018a-88
0.544
MAR-TRE-74c6519b-56
0.544
MAR-TRE-d0525fbf-92
0.538
KEI-TRE-d5e2018a-95
0.538
KEI-TRE-d5e2018a-78
0.537
KEI-TRE-d5e2018a-31
0.495
MAR-TRE-7f7bb9f0-6
0.484
KEI-TRE-d5e2018a-89
0.472
KEI-TRE-d5e2018a-2
0.458
MAR-TRE-2fd8122f-98
0.433
MAR-TRE-4b834d9a-16
0.430
KEI-TRE-d5e2018a-7
0.430
KEI-TRE-d5e2018a-65
0.427
MAR-TRE-2fd8122f-11
0.426
KEI-TRE-d5e2018a-4
0.421
KEI-TRE-d5e2018a-1
0.419
KEI-TRE-d5e2018a-71
0.408
MAR-TRE-3e4e6814-50
0.404
KEI-TRE-d5e2018a-92
0.385
MAR-TRE-2fd8122f-55
0.375
MAR-TRE-04c86cea-97
0.374
MAK-UNK-a7b37c5e-1
0.372
KEI-TRE-d5e2018a-41
0.372
MAR-TRE-67513f76-81
0.368
KEI-TRE-d5e2018a-80
0.367
MAR-TRE-2fd8122f-25
0.367
AUS-ARG-7cfdce8f-11
0.365
SAN-PRS-52b81272-2
0.361
JOH-IMS-62aeb97d-5
0.359
MAK-UNK-ca11b4f7-1
0.359
MAR-TRE-2fd8122f-35
0.358
KEI-TRE-d5e2018a-53
0.356
MAR-TRE-d0525fbf-55
0.356
MAR-TRE-2fd8122f-2
0.354
KEI-TRE-d5e2018a-81
0.351
CHR-SOS-7098f804-16
0.351
CHR-SOS-70e4c98a-7
0.350
CHA-MCP-85291e1d-2
0.344
MAR-TRE-7f7bb9f0-90
0.344
CHR-SOS-70e4c98a-9
0.343
MAR-TRE-2fd8122f-1
0.343
KEI-TRE-d5e2018a-66
0.342
SAD-SAT-24589cd1-4
0.341
DAR-DIA-23aa0b97-16
0.341
TAM-UNI-c140e31a-10
0.340
MAK-UNK-f0bfc2e0-1
0.340
MAR-TRE-3e4e6814-6
0.340
MAK-UNK-a7b37c5e-4
0.337
EDG-MED-0da5ad92-2
0.337
CHR-SOS-70e4c98a-6
0.337
MAR-TRE-2fd8122f-78
0.337
ASH-UNK-40b46b30-3
0.337
KEI-TRE-d5e2018a-16
0.337
KEI-TRE-d5e2018a-56
0.337
CHR-SOS-70e4c98a-4
0.337
MAR-TRE-2fd8122f-4
0.337
MAR-TRE-2fd8122f-40
0.336
CHA-MCP-85291e1d-4
0.333
KEI-TRE-d5e2018a-44
0.333
MAK-UNK-a7b37c5e-2
0.333
MAR-TRE-2fd8122f-37
0.333
MAR-TRE-2fd8122f-70
0.333
WIL-UNI-5578df48-2
0.333
MAR-TRE-67513f76-55
0.333
CHR-SOS-70e4c98a-12
0.330
TAM-UNI-c140e31a-13
0.330
MAR-TRE-04c86cea-46
0.330
KEI-TRE-d5e2018a-27
0.330
MAR-TRE-7f7bb9f0-16
0.330
CHR-SOS-70e4c98a-8
0.330
MAR-TRE-7f7bb9f0-49
0.330
MAR-TRE-7f7bb9f0-74
0.330
AAR-POS-d2a4d1df-11
0.329
JAN-GHE-76def03c-1
0.327
CHR-SOS-7098f804-17
0.327
MAR-TRE-9c797165-95
0.327
CHR-SOS-e960e883-3
0.327
ADA-UNI-f8e79267-2
0.327
EMI-TUK-a58865cc-5
0.326
CHR-SOS-7098f804-14
0.326
WIL-UNI-5578df48-5
0.326
MAR-TRE-b77b7921-40
0.325
TAM-UNI-c140e31a-7
0.324
MAR-TRE-2fd8122f-5
0.324
MAR-TRE-d0525fbf-33
0.324
MAK-UNK-009ebe36-2
0.324
KEI-TRE-d5e2018a-74
0.323
PET-SGC-d0156db4-1
0.323