Molecular Properties | |
SMILES: | COc1cc(OC)c(C2=NOC(C(=O)Nc3cc(C)n(CC(=O)Nc4cccnc4)n3)C2)cc1Cl |
MW: | 498.14 |
Fraction sp3: | 0.26 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 128.96 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7807657442 |
MolPort: | MolPort-002-288-703 |
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-59
0.372
MAR-TRE-4b834d9a-79
0.361
KEI-TRE-d5e2018a-26
0.359
KEI-TRE-d5e2018a-50
0.358
KEI-TRE-d5e2018a-54
0.353
KEI-TRE-d5e2018a-93
0.341
KEI-TRE-d5e2018a-67
0.336
KEI-TRE-d5e2018a-87
0.333
KEI-TRE-d5e2018a-39
0.333
KEI-TRE-d5e2018a-45
0.333
MAR-TRE-2fd8122f-9
0.331
KEI-TRE-d5e2018a-6
0.331
MAR-TRE-7f7bb9f0-84
0.331
MAR-TRE-2fd8122f-35
0.328
KEI-TRE-d5e2018a-33
0.325
KEI-TRE-d5e2018a-75
0.320
MAR-TRE-67513f76-55
0.316
KEI-TRE-d5e2018a-18
0.315
KEI-TRE-d5e2018a-64
0.315
KEI-TRE-d5e2018a-31
0.313
KEI-TRE-d5e2018a-78
0.312
MAR-TRE-3e4e6814-50
0.312
MAR-TRE-2fd8122f-74
0.312
MAR-TRE-2fd8122f-64
0.311
MAR-TRE-2fd8122f-42
0.311
BEN-VAN-ed886787-14
0.311
KEI-TRE-d5e2018a-49
0.306
MAR-TRE-3e4e6814-27
0.306
MAR-TRE-2fd8122f-30
0.303
MAR-TRE-3e4e6814-79
0.303
MAR-TRE-9c797165-14
0.303
MAR-TRE-d0525fbf-84
0.302
KEI-TRE-d5e2018a-84
0.301
KEI-TRE-d5e2018a-37
0.300
MAR-TRE-4b834d9a-45
0.300
MAR-TRE-3e4e6814-6
0.300
MAR-TRE-2fd8122f-91
0.300
KEI-TRE-d5e2018a-60
0.298
MAR-TRE-7f7bb9f0-6
0.298
MAR-TRE-9c797165-60
0.297
KEI-TRE-d5e2018a-74
0.297
KEI-TRE-d5e2018a-89
0.297
BEN-VAN-ed886787-11
0.296
KEI-TRE-d5e2018a-2
0.296
MAR-TRE-2fd8122f-3
0.295
ALB-THE-e2bfce8e-1
0.295
DUN-NEW-f8ce3686-8
0.294
EDG-MED-0da5ad92-2
0.294
DAR-DIA-842b4336-12
0.294
DAR-DIA-842b4336-13
0.294
MAR-TRE-4b834d9a-31
0.293
MAK-UNK-ca11b4f7-1
0.293
MAR-TRE-04c86cea-31
0.293
MAR-TRE-4b834d9a-63
0.293
MAK-UNK-a7b37c5e-4
0.292
MAR-TRE-67513f76-73
0.292
MAR-TRE-9c797165-95
0.291
MAR-TRE-9c797165-38
0.289
MAR-TRE-f6f5f473-46
0.289
MAR-TRE-2fd8122f-49
0.289
MAR-TRE-3e4e6814-65
0.289
MAR-TRE-2fd8122f-55
0.289
MAR-TRE-74c6519b-63
0.289
MAR-TRE-7f7bb9f0-97
0.288
MAR-TRE-74c6519b-56
0.288
KEI-TRE-d5e2018a-88
0.288
TAM-UNI-c140e31a-7
0.288
MAR-TRE-9c797165-52
0.287
SAD-SAT-cefd50cc-6
0.287
MAR-TRE-2fd8122f-100
0.287
MAR-TRE-d0525fbf-92
0.286
KEI-TRE-d5e2018a-95
0.286
SAD-SAT-689b7d5a-7
0.286
MAR-TRE-67513f76-81
0.286
MAR-TRE-74c6519b-17
0.286
NAU-LAT-64f4b287-10
0.284
DAR-DIA-23aa0b97-16
0.284
MAK-UNK-a7b37c5e-1
0.284
MAR-TRE-d0525fbf-45
0.284
KEI-TRE-d5e2018a-53
0.283
KEI-TRE-d5e2018a-19
0.283
MAR-TRE-9c797165-21
0.283
MAR-TRE-2fd8122f-78
0.283
SAD-SAT-24589cd1-4
0.283
WAR-XCH-6eb0722e-4
0.282
TAM-UNI-c140e31a-13
0.282
MAR-TRE-2fd8122f-94
0.282
MAR-TRE-3e4e6814-62
0.282
DAR-DIA-842b4336-11
0.282
TAM-UNI-c140e31a-1
0.281
MAR-TRE-4b834d9a-96
0.281
DAR-DIA-842b4336-2
0.280
JOH-IMS-62aeb97d-5
0.280
DAR-DIA-842b4336-16
0.279
MAR-TRE-04c86cea-40
0.279
MAR-TRE-2fd8122f-39
0.279
MAR-TRE-2fd8122f-50
0.279
MAR-TRE-7f7bb9f0-90
0.278
MAK-UNK-a7b37c5e-5
0.278
TAM-UNI-c140e31a-12
0.278