Molecular Properties | |
SMILES: | Cc1ccc(C)c(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)c1 |
MW: | 347.13 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4641269390 |
MolPort: | MolPort-006-773-008 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-76
0.739
KEI-TRE-d5e2018a-17
0.638
KEI-TRE-d5e2018a-29
0.634
KEI-TRE-d5e2018a-47
0.600
MAR-TRE-67513f76-32
0.569
KEI-TRE-d5e2018a-99
0.569
KEI-TRE-d5e2018a-25
0.568
KEI-TRE-d5e2018a-42
0.562
MAR-TRE-7f7bb9f0-16
0.554
KEI-TRE-d5e2018a-27
0.554
KEI-TRE-d5e2018a-19
0.553
KEI-TRE-d5e2018a-69
0.547
KEI-TRE-d5e2018a-34
0.538
KEI-TRE-d5e2018a-80
0.538
MAR-TRE-7f7bb9f0-92
0.524
KEI-TRE-d5e2018a-24
0.494
KEI-TRE-d5e2018a-81
0.449
KEI-TRE-d5e2018a-43
0.434
KEI-TRE-d5e2018a-55
0.427
KEI-TRE-d5e2018a-16
0.424
ADA-UNI-f8e79267-1
0.393
MAR-TRE-3e4e6814-93
0.392
JOH-IMS-62aeb97d-2
0.387
MAR-TRE-2fd8122f-56
0.386
WAR-XCH-6eb0722e-5
0.386
MAK-UNK-c749d764-9
0.384
MED-UNK-e6e8ef8a-1
0.382
ADA-UNI-f8e79267-2
0.381
ASH-UNK-40b46b30-13
0.381
WAR-XCH-eb7b662f-6
0.378
PET-SGC-b0f8bd49-1
0.378
PET-SGC-d0156db4-1
0.378
BEN-DND-362d364a-12
0.378
DRE-WAB-ae4a693c-1
0.378
ADA-UNI-f8e79267-4
0.378
ADA-UNI-f8e79267-7
0.378
MAR-TRE-2fd8122f-4
0.374
WAR-XCH-6eb0722e-6
0.374
MAK-UNK-ca11b4f7-1
0.373
MAR-TRE-7f7bb9f0-49
0.372
ADA-UNI-f8e79267-8
0.367
MED-UNK-e6e8ef8a-7
0.364
ZAC-WAB-3baddbb3-1
0.364
ZAC-WAB-d55a3c2e-2
0.364
ADA-UNI-f8e79267-10
0.364
ASH-UNK-40b46b30-3
0.361
MAK-UNK-c749d764-7
0.360
KEI-TRE-d5e2018a-89
0.360
MAK-UNK-ca11b4f7-3
0.358
KEI-TRE-d5e2018a-100
0.356
ADA-UNI-f8e79267-5
0.354
JOH-IMS-62aeb97d-5
0.353
KEI-TRE-d5e2018a-92
0.352
KEI-TRE-d5e2018a-65
0.352
MAR-TRE-2fd8122f-1
0.351
MAR-TRE-2fd8122f-67
0.351
MAR-TRE-2fd8122f-79
0.350
KEI-TRE-d5e2018a-82
0.348
MAR-TRE-2fd8122f-97
0.345
JAG-UCB-a3ef7265-7
0.345
MAR-TRE-7f7bb9f0-6
0.344
MAR-TRE-67513f76-81
0.343
WIL-UNI-5578df48-2
0.342
DAR-DIA-842b4336-3
0.342
WAR-XCH-eb7b662f-5
0.342
ADA-UNI-f8e79267-11
0.341
KEI-TRE-d5e2018a-2
0.340
MAK-UNK-ca11b4f7-2
0.338
MAK-UNK-c749d764-27
0.338
MAR-TRE-2fd8122f-69
0.337
CHA-MCP-85291e1d-2
0.337
MAR-TRE-2fd8122f-98
0.337
MAR-TRE-4b834d9a-16
0.337
KEI-TRE-d5e2018a-7
0.337
MAR-TRE-2fd8122f-2
0.333
KEI-TRE-d5e2018a-14
0.333
MAR-TRE-67513f76-93
0.333
MAK-UNK-f0bfc2e0-1
0.333
KEI-TRE-d5e2018a-56
0.330
KEI-TRE-d5e2018a-88
0.330
MAR-TRE-74c6519b-56
0.330
SAD-SAT-f25ee457-7
0.330
KEI-TRE-d5e2018a-4
0.330
KEI-TRE-d5e2018a-54
0.330
KEI-TRE-d5e2018a-86
0.330
PET-SGC-d0156db4-2
0.330
IAN-BAS-df1706d7-1
0.329
ANT-DIA-3c79be55-4
0.329
DAR-DIA-842b4336-12
0.329
MED-UNK-e6e8ef8a-5
0.329
DAR-DIA-842b4336-7
0.329
MAR-TRE-2fd8122f-19
0.326
MAR-TRE-f6f5f473-23
0.326
SAD-SAT-135344c3-10
0.326
ADA-UNI-f8e79267-3
0.326
CHA-MCP-85291e1d-4
0.326
SAD-SAT-2fd372d1-7
0.325
ALE-HEI-f28a35b5-15
0.324
MAK-UNK-c749d764-30
0.324
KEI-TRE-d5e2018a-18
0.323