Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 |
MW: | 423.16 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1268988281 |
MolPort: | MolPort-019-779-304 |
Hetero_hetero
MAR-TRE-f6f5f473-79
0.786
MAR-TRE-04c86cea-65
0.654
MAR-TRE-2fd8122f-58
0.500
MAR-TRE-04c86cea-90
0.494
MAR-TRE-2fd8122f-82
0.488
MAR-TRE-4b834d9a-57
0.471
MAR-TRE-2fd8122f-34
0.470
MAR-TRE-f6f5f473-58
0.467
MAR-TRE-2fd8122f-24
0.465
KEI-TRE-d5e2018a-91
0.465
KEI-TRE-d5e2018a-100
0.465
MAR-TRE-2fd8122f-65
0.464
MAR-TRE-3e4e6814-34
0.463
KEI-TRE-d5e2018a-32
0.463
KEI-TRE-d5e2018a-36
0.459
MAR-TRE-4b834d9a-71
0.457
KEI-TRE-d5e2018a-71
0.455
MAR-TRE-4b834d9a-67
0.444
MAR-TRE-4b834d9a-92
0.444
MAR-TRE-2fd8122f-22
0.437
MAR-TRE-4b834d9a-24
0.426
KEI-TRE-d5e2018a-82
0.422
KEI-TRE-d5e2018a-56
0.418
KEI-TRE-d5e2018a-86
0.404
MAR-TRE-2fd8122f-95
0.404
MAR-TRE-f6f5f473-36
0.400
ANT-DIA-3c79be55-4
0.395
KEI-TRE-d5e2018a-70
0.391
KEI-TRE-d5e2018a-28
0.391
MAR-TRE-f6f5f473-29
0.391
CHR-SOS-7098f804-12
0.390
MAR-TRE-b77b7921-70
0.389
MAR-TRE-2fd8122f-76
0.386
KEI-TRE-d5e2018a-90
0.385
WIL-UNI-5578df48-21
0.380
MAR-TRE-3e4e6814-45
0.378
MAR-TRE-4b834d9a-43
0.374
KEI-TRE-d5e2018a-58
0.374
SAN-PRS-52b81272-2
0.373
MAR-TRE-2fd8122f-5
0.372
MAR-TRE-2fd8122f-98
0.368
KEI-TRE-d5e2018a-22
0.363
SAD-SAT-689b7d5a-3
0.361
MAR-TRE-2fd8122f-40
0.356
JOH-IMS-62aeb97d-5
0.352
SAD-SAT-135344c3-2
0.352
MAK-UNK-c749d764-17
0.350
MAR-TRE-2fd8122f-2
0.348
MAK-UNK-129dcd6f-12
0.348
MAR-TRE-2fd8122f-84
0.347
CHR-SOS-7098f804-19
0.347
MAR-TRE-2fd8122f-71
0.347
MAK-UNK-a7b37c5e-4
0.346
WIL-UNI-5578df48-31
0.344
MAR-TRE-67513f76-81
0.343
MAK-UNK-a7b37c5e-5
0.342
WIL-UNI-5578df48-15
0.341
CHR-SOS-7098f804-15
0.341
MAK-UNK-10dfa458-31
0.341
KEI-TRE-d5e2018a-83
0.340
MAK-UNK-ca11b4f7-3
0.338
MAR-TRE-2fd8122f-17
0.337
MAR-TRE-2fd8122f-25
0.337
MAR-TRE-2fd8122f-67
0.333
KEI-TRE-d5e2018a-13
0.333
KEI-TRE-d5e2018a-69
0.333
MAK-UNK-ca11b4f7-1
0.333
MAR-TRE-2fd8122f-41
0.330
MAR-TRE-2fd8122f-83
0.330
MAR-TRE-2fd8122f-31
0.330
MAR-TRE-fd17a9b8-90
0.330
BEN-DND-362d364a-12
0.330
ANT-DIA-3c79be55-5
0.330
PET-SGC-b0f8bd49-1
0.330
DRE-WAB-ae4a693c-1
0.330
PET-SGC-d0156db4-1
0.330
WIL-UNI-5578df48-22
0.329
DAR-DIA-842b4336-7
0.329
ALE-HEI-f28a35b5-5
0.329
MAR-TRE-2fd8122f-11
0.327
MAR-TRE-2fd8122f-70
0.327
MAR-TRE-2fd8122f-85
0.326
MAR-TRE-799db12b-93
0.326
SAD-SAT-689b7d5a-8
0.326
MAR-TRE-74c6519b-47
0.326
CHR-SOS-7098f804-11
0.325
JAN-GHE-4287bd1a-9
0.325
WAR-XCH-eb7b662f-6
0.325
MAR-TRE-d0525fbf-55
0.323
CHR-SOS-7098f804-22
0.323
KEI-TRE-d5e2018a-53
0.323
MAR-TRE-2fd8122f-52
0.323
MAR-TRE-3e4e6814-92
0.323
SAD-SAT-689b7d5a-6
0.322
CHR-SOS-7098f804-18
0.322
CHA-MCP-85291e1d-2
0.322
MAK-UNK-c749d764-27
0.321
AAR-POS-d2a4d1df-11
0.320
MAK-UNK-ca11b4f7-2
0.319
BAR-COM-21d20d65-6
0.319