Molecular Properties | |
SMILES: | C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(N)nc2)O1 |
MW: | 249.15 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.24 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-67513f76-44
0.479
MAR-TRE-7f7bb9f0-14
0.474
MAR-TRE-9c797165-2
0.472
MAR-TRE-9c797165-70
0.464
MAR-TRE-4b834d9a-89
0.458
MAR-TRE-67513f76-99
0.457
MAR-TRE-f6f5f473-28
0.438
MAR-TRE-3e4e6814-87
0.438
MAR-TRE-7f7bb9f0-99
0.434
MAR-TRE-67513f76-3
0.434
MAR-TRE-3e4e6814-39
0.427
MAR-TRE-7f7bb9f0-45
0.421
MAR-TRE-74c6519b-46
0.416
MAR-TRE-67513f76-75
0.400
MAR-TRE-d0525fbf-30
0.400
MAR-TRE-04c86cea-62
0.395
MAR-TRE-d0525fbf-82
0.395
MAR-TRE-04c86cea-38
0.388
MAR-TRE-7f7bb9f0-20
0.387
MAR-TRE-3e4e6814-96
0.375
MAR-TRE-04c86cea-44
0.372
MAR-TRE-74c6519b-69
0.372
MAR-TRE-7f7bb9f0-11
0.370
MAR-TRE-b77b7921-63
0.370
MAR-TRE-f6f5f473-56
0.367
MAR-TRE-7f7bb9f0-86
0.364
MAR-TRE-74c6519b-12
0.364
MAR-TRE-9c797165-84
0.364
MAR-TRE-67513f76-47
0.364
MAR-TRE-74c6519b-53
0.362
MAR-TRE-3e4e6814-58
0.362
MAR-TRE-9c797165-77
0.360
MAR-TRE-9c797165-44
0.356
MAR-TRE-9c797165-4
0.354
MAR-TRE-3e4e6814-23
0.353
MAR-TRE-f6f5f473-39
0.349
MAR-TRE-7f7bb9f0-63
0.349
MAR-TRE-f6f5f473-9
0.349
MAR-TRE-f6f5f473-74
0.345
MAR-TRE-7f7bb9f0-67
0.345
MAR-TRE-9c797165-33
0.345
MAR-TRE-f6f5f473-73
0.345
MAR-TRE-74c6519b-29
0.345
MAR-TRE-67513f76-90
0.342
MAR-TRE-74c6519b-50
0.341
MAR-TRE-04c86cea-78
0.341
MAR-TRE-74c6519b-48
0.341
MAR-TRE-f6f5f473-97
0.338
MAR-TRE-74c6519b-52
0.329
MAR-TRE-74c6519b-24
0.326
MAR-TRE-67513f76-35
0.326
MAR-TRE-4b834d9a-65
0.326
MAR-TRE-f6f5f473-91
0.326
MAR-TRE-f6f5f473-77
0.326
MAR-TRE-7f7bb9f0-21
0.326
MAR-TRE-f6f5f473-69
0.322
MAR-TRE-9c797165-86
0.321
MAR-TRE-7f7bb9f0-47
0.313
MAR-TRE-7f7bb9f0-13
0.312
MAR-TRE-67513f76-31
0.307
MAR-TRE-b77b7921-72
0.304
MAR-TRE-f6f5f473-90
0.303
MAR-TRE-9c797165-48
0.302
MAR-TRE-74c6519b-90
0.293
MAR-TRE-4b834d9a-58
0.293
MAR-TRE-4b834d9a-78
0.289
MAR-TRE-f6f5f473-8
0.289
MAR-TRE-67513f76-60
0.287
MAR-TRE-04c86cea-84
0.284
MAR-TRE-67513f76-85
0.282
MAR-TRE-f6f5f473-14
0.282
MAR-TRE-74c6519b-85
0.281
MAR-TRE-04c86cea-19
0.279
MAR-TRE-74c6519b-49
0.278
MAR-TRE-3e4e6814-88
0.276
MAR-TRE-f6f5f473-37
0.276
MAR-TRE-d0525fbf-50
0.276
MAR-TRE-2fd8122f-72
0.273
MAR-TRE-67513f76-1
0.273
MAR-TRE-67513f76-24
0.273
MAR-TRE-b77b7921-9
0.271
MAR-TRE-d0525fbf-99
0.270
MAR-TRE-b77b7921-75
0.270
YOI-UNK-4c10088f-1
0.268
GAB-REV-70cc3ca5-3
0.264
MAR-TRE-67513f76-48
0.264
MAR-TRE-7f7bb9f0-97
0.261
MAR-TRE-7f7bb9f0-82
0.261
MAT-POS-590ac91e-10
0.259
EDG-MED-0da5ad92-13
0.259
MAR-TRE-f6f5f473-36
0.258
ALE-HEI-f28a35b5-14
0.257
MAR-TRE-7f7bb9f0-64
0.256
MAR-TRE-67513f76-83
0.256
MAR-TRE-4b834d9a-56
0.253
MAK-UNK-372b0df5-3
0.250
MAT-POS-590ac91e-7
0.250
BEN-DND-93268d01-4
0.250
MAR-TRE-f6f5f473-76
0.250
MAR-TRE-b77b7921-18
0.250