Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cn1 |
MW: | 342.18 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 114.93 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1056987702 |
MolPort: | MolPort-045-471-728 |
aniline
MAR-TRE-f6f5f473-77
0.416
MAR-TRE-f6f5f473-28
0.376
MAR-TRE-04c86cea-62
0.347
MAR-TRE-7f7bb9f0-86
0.345
MAR-TRE-9c797165-84
0.345
MAR-TRE-67513f76-3
0.344
MAR-TRE-67513f76-99
0.341
MAR-TRE-67513f76-14
0.341
MAR-TRE-9c797165-2
0.341
MAR-TRE-3e4e6814-96
0.341
MAR-TRE-b77b7921-63
0.337
MAR-TRE-7f7bb9f0-11
0.337
MAR-TRE-7f7bb9f0-14
0.333
MAR-TRE-7f7bb9f0-20
0.333
MAR-TRE-b77b7921-35
0.330
MAR-TRE-74c6519b-53
0.330
MAR-TRE-f6f5f473-98
0.327
MAR-TRE-9c797165-77
0.326
MAR-TRE-67513f76-75
0.325
MAR-TRE-9c797165-4
0.322
MAR-TRE-7f7bb9f0-45
0.319
MAR-TRE-d0525fbf-50
0.317
MAR-TRE-74c6519b-29
0.316
MAR-TRE-7f7bb9f0-67
0.316
MAR-TRE-3e4e6814-58
0.315
MAR-TRE-9c797165-70
0.314
MAR-TRE-4b834d9a-65
0.313
MAR-TRE-04c86cea-44
0.313
MAR-TRE-3e4e6814-82
0.312
ALE-HEI-f28a35b5-8
0.310
MAR-TRE-3e4e6814-23
0.309
MAR-TRE-f6f5f473-97
0.308
MAR-TRE-f6f5f473-76
0.307
MAR-TRE-f6f5f473-9
0.306
MAR-TRE-9c797165-44
0.306
MAR-TRE-3e4e6814-57
0.303
AAR-UNI-c25c2f1e-96
0.302
MAR-TRE-f6f5f473-74
0.302
MAR-TRE-d0525fbf-82
0.302
MAR-TRE-7f7bb9f0-47
0.301
MAR-TRE-74c6519b-24
0.300
MAR-TRE-67513f76-47
0.300
MAR-TRE-67513f76-44
0.300
MAR-TRE-04c86cea-8
0.299
MAR-TRE-74c6519b-50
0.299
SAD-SAT-edc8a235-1
0.292
MAR-TRE-7f7bb9f0-63
0.292
MAR-TRE-f6f5f473-56
0.290
MAR-TRE-04c86cea-10
0.290
MAR-TRE-b77b7921-93
0.288
MAR-TRE-f6f5f473-89
0.288
MAR-TRE-14ce9fd6-1
0.287
MAR-TRE-74c6519b-46
0.287
MAR-TRE-74c6519b-52
0.287
MAR-TRE-3159af1a-49
0.287
MAR-TRE-67513f76-35
0.287
MAR-TRE-3e4e6814-75
0.287
MAR-TRE-04c86cea-38
0.287
MAR-TRE-4b834d9a-89
0.286
MAR-TRE-7f7bb9f0-21
0.286
MAR-TRE-3e4e6814-87
0.286
MAR-TRE-b77b7921-72
0.282
TRY-UNI-714a760b-7
0.281
KOV-VNK-5e1a909f-37
0.281
GIA-UNK-3f36037a-3
0.280
MAR-TRE-f6f5f473-70
0.280
MAR-TRE-f6f5f473-8
0.280
MAR-TRE-f6f5f473-90
0.280
MAR-TRE-3e4e6814-39
0.280
MAR-TRE-f6f5f473-54
0.278
MAR-TRE-f6f5f473-14
0.274
MAR-TRE-7f7bb9f0-99
0.274
MAR-TRE-f6f5f473-15
0.273
MAR-TRE-4b834d9a-58
0.273
MAR-TRE-f6f5f473-91
0.273
MAR-TRE-d0525fbf-30
0.272
DAR-DIA-03336633-6
0.270
MAR-TRE-67513f76-31
0.270
MAR-TRE-f6f5f473-69
0.270
MAR-TRE-b77b7921-13
0.269
MAR-TRE-b77b7921-95
0.267
MAR-TRE-e82e6c98-80
0.267
MAR-TRE-67513f76-1
0.266
RUT-UNI-630c5802-8
0.265
GIA-UNK-3f36037a-1
0.265
MAR-TRE-7f7bb9f0-13
0.264
MAK-UNK-f2409524-32
0.264
PET-SGC-c429dc17-1
0.263
CES-WAB-18e74d70-1
0.263
MAR-TRE-f5c2d31c-93
0.263
MAR-TRE-f6f5f473-73
0.263
MAR-TRE-9c797165-33
0.263
MAR-TRE-c317dd82-59
0.263
MAK-UNK-f2409524-2
0.262
MAK-UNK-f2409524-33
0.262
MAR-TRE-0fda4e82-2
0.260
MAR-TRE-04c86cea-78
0.260
ZAC-WAB-b0242612-1
0.259
MAR-TRE-74c6519b-61
0.259
TRY-UNI-714a760b-11
0.258