Molecular Properties | |
SMILES: | CC(C)c1noc(CCC(=O)Nc2ccc(N)nc2)n1 |
MW: | 275.14 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.93 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9500378581 |
MolPort: | MolPort-045-075-898 |
aniline
MAR-TRE-67513f76-44
0.688
MAR-TRE-4b834d9a-89
0.521
MAR-TRE-3e4e6814-87
0.459
MAR-TRE-74c6519b-46
0.455
MAR-TRE-9c797165-2
0.453
MAR-TRE-3e4e6814-39
0.447
MAR-TRE-9c797165-70
0.444
MAR-TRE-67513f76-14
0.434
MAR-TRE-7f7bb9f0-14
0.420
MAR-TRE-67513f76-99
0.419
MAR-TRE-74c6519b-12
0.398
MAR-TRE-d0525fbf-82
0.398
MAR-TRE-7f7bb9f0-20
0.390
MAR-TRE-7f7bb9f0-45
0.388
MAR-TRE-7f7bb9f0-63
0.386
MAR-TRE-67513f76-3
0.383
MAR-TRE-67513f76-47
0.367
MAR-TRE-f6f5f473-73
0.365
MAR-TRE-7f7bb9f0-11
0.357
MAR-TRE-d0525fbf-30
0.356
MAR-TRE-f6f5f473-56
0.354
MAR-TRE-74c6519b-52
0.349
MAR-TRE-9c797165-33
0.349
MAR-TRE-04c86cea-38
0.344
MAR-TRE-3e4e6814-58
0.333
MAR-TRE-7f7bb9f0-47
0.333
MAR-TRE-74c6519b-53
0.333
MAR-TRE-f6f5f473-28
0.333
MAR-TRE-04c86cea-44
0.330
MAR-TRE-67513f76-35
0.330
MAR-TRE-67513f76-75
0.329
MAR-TRE-b77b7921-63
0.326
MAR-TRE-9c797165-4
0.325
MAR-TRE-4b834d9a-78
0.325
MAR-TRE-7f7bb9f0-86
0.317
MAR-TRE-74c6519b-50
0.315
MAR-TRE-04c86cea-78
0.315
MAR-TRE-3e4e6814-96
0.314
MAR-TRE-9c797165-77
0.312
MAR-TRE-04c86cea-62
0.309
MAR-TRE-9c797165-44
0.308
MAR-TRE-3e4e6814-31
0.308
MAR-TRE-f6f5f473-9
0.308
MAR-TRE-f6f5f473-39
0.307
MAR-TRE-74c6519b-29
0.304
MAR-TRE-9c797165-84
0.301
MAR-TRE-f6f5f473-91
0.300
MAR-TRE-f6f5f473-69
0.297
MAR-TRE-b77b7921-72
0.295
MAR-TRE-f6f5f473-97
0.294
MAR-TRE-f6f5f473-90
0.293
MAR-TRE-7f7bb9f0-67
0.289
MAR-TRE-f6f5f473-74
0.289
MAR-TRE-d0525fbf-99
0.287
MAR-TRE-74c6519b-67
0.286
MAR-TRE-74c6519b-82
0.286
MAR-TRE-3e4e6814-9
0.278
MAR-TRE-b77b7921-9
0.276
MAR-TRE-74c6519b-48
0.274
MAR-TRE-4b834d9a-58
0.272
MAR-TRE-7f7bb9f0-21
0.272
MAR-TRE-f6f5f473-77
0.272
MAR-TRE-67513f76-48
0.269
MAR-TRE-67513f76-31
0.269
MAR-TRE-b77b7921-18
0.267
MAR-TRE-f6f5f473-8
0.266
MAR-TRE-74c6519b-69
0.264
MAR-TRE-67513f76-24
0.264
KEN-ILL-f8fa3277-4
0.263
MAR-TRE-74c6519b-24
0.260
MAR-TRE-9c797165-42
0.260
MAR-TRE-04c86cea-64
0.258
MAR-TRE-3e4e6814-23
0.255
MAR-TRE-2fd8122f-93
0.255
MAR-TRE-67513f76-90
0.253
MAR-TRE-3e4e6814-50
0.253
MAR-TRE-f6f5f473-37
0.253
MAR-TRE-f6f5f473-14
0.250
MAR-TRE-7f7bb9f0-13
0.250
MAR-TRE-9c797165-12
0.250
MAR-TRE-67513f76-97
0.250
MAR-TRE-67513f76-60
0.250
MAR-TRE-4b834d9a-65
0.247
MAR-TRE-74c6519b-90
0.245
CHA-MCP-85291e1d-4
0.244
MAR-TRE-7f7bb9f0-37
0.240
MAR-TRE-9c797165-3
0.237
MAR-TRE-2fd8122f-72
0.237
AAR-UNI-c25c2f1e-33
0.236
MAR-TRE-7f7bb9f0-49
0.235
EDG-MED-0da5ad92-13
0.235
MAR-TRE-9c797165-68
0.235
MAR-TRE-b77b7921-67
0.234
MAR-TRE-f5c2d31c-97
0.233
MAR-TRE-2fd8122f-80
0.232
MAR-TRE-d0525fbf-50
0.231
MAR-TRE-67513f76-85
0.231
ALE-HEI-f28a35b5-14
0.231
GAB-REV-70cc3ca5-22
0.230
MAR-TRE-f6f5f473-76
0.230