Molecular Properties | |
SMILES: | Cc1noc(CCC(=O)Nc2ccc(N)nc2)n1 |
MW: | 247.11 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 106.93 |
cLogP: | 0.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9734851922 |
MolPort: | MolPort-045-075-894 |
aniline
MAR-TRE-7f7bb9f0-99
0.688
MAR-TRE-4b834d9a-89
0.576
MAR-TRE-3e4e6814-87
0.486
MAR-TRE-67513f76-14
0.479
MAR-TRE-3e4e6814-39
0.472
MAR-TRE-9c797165-70
0.471
MAR-TRE-74c6519b-46
0.459
MAR-TRE-9c797165-2
0.458
MAR-TRE-67513f76-99
0.443
MAR-TRE-74c6519b-12
0.434
MAR-TRE-7f7bb9f0-14
0.423
MAR-TRE-7f7bb9f0-20
0.411
MAR-TRE-7f7bb9f0-45
0.408
MAR-TRE-d0525fbf-82
0.400
MAR-TRE-d0525fbf-30
0.388
MAR-TRE-67513f76-3
0.385
MAR-TRE-04c86cea-38
0.376
MAR-TRE-f6f5f473-56
0.372
MAR-TRE-7f7bb9f0-63
0.370
MAR-TRE-3e4e6814-58
0.367
MAR-TRE-9c797165-33
0.366
MAR-TRE-9c797165-4
0.359
MAR-TRE-04c86cea-62
0.352
MAR-TRE-67513f76-47
0.351
MAR-TRE-74c6519b-53
0.350
MAR-TRE-f6f5f473-73
0.349
MAR-TRE-67513f76-75
0.347
MAR-TRE-3e4e6814-96
0.346
MAR-TRE-74c6519b-50
0.345
MAR-TRE-b77b7921-63
0.341
MAR-TRE-f6f5f473-69
0.341
MAR-TRE-7f7bb9f0-86
0.333
MAR-TRE-9c797165-84
0.333
MAR-TRE-74c6519b-52
0.333
MAR-TRE-04c86cea-44
0.330
MAR-TRE-67513f76-35
0.330
MAR-TRE-f6f5f473-91
0.329
MAR-TRE-9c797165-77
0.329
MAR-TRE-7f7bb9f0-11
0.325
MAR-TRE-4b834d9a-78
0.325
MAR-TRE-9c797165-44
0.324
MAR-TRE-f6f5f473-9
0.322
MAR-TRE-f6f5f473-39
0.321
MAR-TRE-74c6519b-29
0.318
MAR-TRE-7f7bb9f0-47
0.317
MAR-TRE-f6f5f473-28
0.316
MAR-TRE-04c86cea-78
0.314
MAR-TRE-d0525fbf-99
0.312
MAR-TRE-f6f5f473-97
0.309
MAR-TRE-b77b7921-72
0.308
MAR-TRE-3e4e6814-31
0.307
MAR-TRE-f6f5f473-90
0.307
CHO-MSK-6e55470f-5
0.305
MAR-TRE-f6f5f473-74
0.302
MAR-TRE-7f7bb9f0-67
0.302
MAR-TRE-74c6519b-48
0.300
MAR-TRE-b77b7921-9
0.287
MAR-TRE-74c6519b-24
0.286
MAR-TRE-74c6519b-67
0.284
MAR-TRE-74c6519b-82
0.284
MAR-TRE-7f7bb9f0-21
0.284
MAR-TRE-f6f5f473-77
0.284
MAR-TRE-9c797165-42
0.283
MAR-TRE-67513f76-31
0.281
MAR-TRE-b77b7921-18
0.277
MAR-TRE-74c6519b-69
0.277
MAR-TRE-3e4e6814-9
0.276
MAR-TRE-7f7bb9f0-13
0.274
MAR-TRE-4b834d9a-58
0.270
MAR-TRE-04c86cea-64
0.269
MAR-TRE-3e4e6814-23
0.267
MAR-TRE-3e4e6814-50
0.265
MAR-TRE-f6f5f473-8
0.264
EDG-MED-0da5ad92-13
0.263
MAR-TRE-67513f76-24
0.261
MAR-TRE-9c797165-12
0.261
MAR-TRE-67513f76-60
0.261
BAR-COM-4e090d3a-38
0.260
KEN-ILL-f8fa3277-4
0.260
MAR-TRE-f6f5f473-14
0.260
MAR-TRE-4b834d9a-65
0.258
BEN-DND-93268d01-5
0.256
CHA-MCP-85291e1d-4
0.256
MAR-TRE-74c6519b-49
0.253
MAR-TRE-67513f76-48
0.253
GAB-REV-70cc3ca5-22
0.253
MAR-TRE-2fd8122f-93
0.253
EDG-MED-0da5ad92-17
0.250
DAR-DIA-842b4336-16
0.250
MAR-TRE-67513f76-90
0.250
MAR-TRE-67513f76-97
0.247
MAR-TRE-9c797165-68
0.247
MAR-TRE-6c5ef77a-35
0.245
MAR-TRE-1c920f6f-20
0.244
MAR-TRE-f5c2d31c-97
0.244
MAT-POS-590ac91e-17
0.244
ALE-HEI-f28a35b5-14
0.243
MAR-TRE-74c6519b-90
0.242
MAR-TRE-2fd8122f-80
0.242
MAR-TRE-74c6519b-85
0.242