Molecular Properties | |
SMILES: | Cc1ccccc1CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O |
MW: | 395.13 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1227714262 |
MolPort: | MolPort-002-124-102 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-56
0.727
KEI-TRE-d5e2018a-100
0.646
KEI-TRE-d5e2018a-91
0.625
KEI-TRE-d5e2018a-71
0.483
MAR-TRE-2fd8122f-82
0.482
MAR-TRE-2fd8122f-58
0.440
KEI-TRE-d5e2018a-86
0.433
MAR-TRE-2fd8122f-24
0.429
MAR-TRE-f6f5f473-75
0.422
KEI-TRE-d5e2018a-36
0.422
MAR-TRE-f6f5f473-79
0.418
MAR-TRE-2fd8122f-65
0.411
MAR-TRE-04c86cea-90
0.407
KEI-TRE-d5e2018a-70
0.404
MAR-TRE-04c86cea-65
0.400
KEI-TRE-d5e2018a-92
0.396
MAR-TRE-3e4e6814-34
0.393
KEI-TRE-d5e2018a-32
0.393
MAR-TRE-2fd8122f-34
0.385
MAK-UNK-129dcd6f-12
0.378
ANT-DIA-3c79be55-4
0.376
ASH-UNK-40b46b30-3
0.375
KEI-TRE-d5e2018a-81
0.375
KEI-TRE-d5e2018a-28
0.374
MAR-TRE-f6f5f473-29
0.374
KEI-TRE-d5e2018a-55
0.374
MAR-TRE-4b834d9a-57
0.372
MAR-TRE-2fd8122f-22
0.372
KEI-TRE-d5e2018a-42
0.371
MAR-TRE-4b834d9a-92
0.367
MAR-TRE-4b834d9a-67
0.367
MAR-TRE-7f7bb9f0-16
0.367
KEI-TRE-d5e2018a-27
0.367
MAR-TRE-4b834d9a-71
0.366
MAR-TRE-4b834d9a-16
0.366
KEI-TRE-d5e2018a-7
0.366
KEI-TRE-d5e2018a-69
0.363
MAR-TRE-67513f76-32
0.360
KEI-TRE-d5e2018a-99
0.360
KEI-TRE-d5e2018a-17
0.360
KEI-TRE-d5e2018a-89
0.359
KEI-TRE-d5e2018a-54
0.358
KEI-TRE-d5e2018a-58
0.358
MAR-TRE-4b834d9a-43
0.358
MAR-TRE-2fd8122f-76
0.355
KEI-TRE-d5e2018a-24
0.355
MAR-TRE-f6f5f473-36
0.354
CHR-SOS-7098f804-12
0.354
MAK-UNK-c749d764-27
0.353
KEI-TRE-d5e2018a-43
0.351
KEI-TRE-d5e2018a-65
0.351
KEI-TRE-d5e2018a-90
0.349
JOH-IMS-62aeb97d-2
0.349
MAK-UNK-f0bfc2e0-1
0.348
ADA-UNI-f8e79267-2
0.348
KEI-TRE-d5e2018a-29
0.348
KEI-TRE-d5e2018a-40
0.348
KEI-TRE-d5e2018a-76
0.347
KEI-TRE-d5e2018a-80
0.347
MAR-TRE-f6f5f473-58
0.347
DAR-DIA-842b4336-11
0.345
KEI-TRE-d5e2018a-4
0.344
MAR-TRE-4b834d9a-24
0.340
MAK-UNK-ca11b4f7-3
0.338
MAR-TRE-7f7bb9f0-49
0.337
JIA-UNI-12b1f9ae-1
0.337
CHR-SOS-7098f804-18
0.337
KEI-TRE-d5e2018a-98
0.337
MAR-TRE-2fd8122f-71
0.333
JOH-IMS-62aeb97d-5
0.333
MAR-TRE-3e4e6814-45
0.333
KEI-TRE-d5e2018a-22
0.333
KEI-TRE-d5e2018a-25
0.333
MAK-UNK-a7b37c5e-1
0.333
MAR-TRE-2fd8122f-5
0.330
KEI-TRE-d5e2018a-88
0.330
MAR-TRE-74c6519b-56
0.330
MAR-TRE-7f7bb9f0-6
0.330
MAR-TRE-b77b7921-70
0.330
KEI-TRE-d5e2018a-16
0.330
BAR-COM-5694a99d-4
0.330
BEN-DND-362d364a-12
0.330
PET-SGC-b0f8bd49-1
0.330
MAR-TRE-67513f76-13
0.330
PET-SGC-d0156db4-1
0.330
DRE-WAB-ae4a693c-1
0.330
DAR-DIA-842b4336-12
0.329
ALE-HEI-f28a35b5-5
0.329
MAR-TRE-d0525fbf-92
0.327
KEI-TRE-d5e2018a-95
0.327
WAR-XCH-6eb0722e-5
0.327
KEI-TRE-d5e2018a-19
0.326
MAR-TRE-2fd8122f-37
0.326
KEI-TRE-d5e2018a-44
0.326
MAK-UNK-a7b37c5e-2
0.326
WIL-UNI-5578df48-2
0.325
MAR-TRE-67513f76-81
0.324
MAR-TRE-2fd8122f-25
0.324
KEI-TRE-d5e2018a-18
0.324
CHR-SOS-7098f804-22
0.324