Molecular Properties | |
SMILES: | Cc1ccc(C2(C(=O)Nc3ccc(N)nc3)CCOCC2)cc1 |
MW: | 311.16 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6554161186 |
MolPort: | MolPort-045-075-413 |
aniline
MAR-TRE-04c86cea-78
0.611
MAR-TRE-b77b7921-85
0.500
MAR-TRE-f6f5f473-69
0.481
MAR-TRE-f6f5f473-91
0.450
MAR-TRE-67513f76-75
0.449
MAR-TRE-4b834d9a-89
0.390
MAR-TRE-f6f5f473-9
0.388
MAR-TRE-74c6519b-29
0.384
MAR-TRE-f6f5f473-97
0.380
MAR-TRE-67513f76-44
0.372
MAR-TRE-67513f76-14
0.367
MAR-TRE-f6f5f473-90
0.356
MAR-TRE-7f7bb9f0-99
0.354
MAR-TRE-74c6519b-53
0.354
MAR-TRE-67513f76-99
0.351
MAR-TRE-9c797165-69
0.346
MAR-TRE-7f7bb9f0-11
0.345
MAR-TRE-b77b7921-63
0.345
MAR-TRE-7f7bb9f0-20
0.342
MAR-TRE-9c797165-41
0.341
MAR-TRE-9c797165-70
0.338
MAR-TRE-f6f5f473-28
0.338
MAR-TRE-7f7bb9f0-86
0.338
MAR-TRE-67513f76-3
0.337
MAR-TRE-3e4e6814-96
0.333
MAR-TRE-9c797165-2
0.333
MAR-TRE-9c797165-77
0.333
MAR-TRE-04c86cea-44
0.333
MAR-TRE-3e4e6814-39
0.329
MAR-TRE-9c797165-44
0.329
MAR-TRE-04c86cea-62
0.326
MAR-TRE-7f7bb9f0-14
0.326
MAR-TRE-3e4e6814-58
0.321
MAR-TRE-74c6519b-46
0.321
MAR-TRE-67513f76-47
0.321
MAR-TRE-3e4e6814-87
0.321
MAR-TRE-9c797165-84
0.321
MAR-TRE-67513f76-31
0.315
MAR-TRE-9c797165-4
0.313
MAR-TRE-7f7bb9f0-45
0.310
MAR-TRE-7f7bb9f0-67
0.307
MAR-TRE-9c797165-33
0.307
MAR-TRE-f6f5f473-74
0.307
MAR-TRE-74c6519b-52
0.306
MAR-TRE-7f7bb9f0-47
0.306
MAR-TRE-04c86cea-38
0.304
MAR-TRE-d0525fbf-30
0.301
MAR-TRE-67513f76-38
0.299
MAR-TRE-f6f5f473-25
0.297
MAR-TRE-7f7bb9f0-63
0.295
MAR-TRE-f6f5f473-73
0.292
MAR-TRE-d0525fbf-82
0.292
MAR-TRE-74c6519b-48
0.290
MAR-TRE-f6f5f473-77
0.289
MAR-TRE-7f7bb9f0-21
0.289
MAR-TRE-74c6519b-50
0.289
MAR-TRE-4b834d9a-58
0.287
MAR-TRE-3e4e6814-23
0.286
MAR-TRE-74c6519b-12
0.284
NAU-LAT-e1818702-5
0.283
MAR-TRE-f6f5f473-8
0.283
MAR-TRE-f6f5f473-63
0.282
MAR-TRE-7f7bb9f0-13
0.278
MAR-TRE-67513f76-86
0.277
MAR-TRE-74c6519b-24
0.277
MAR-TRE-67513f76-35
0.277
MAR-TRE-4b834d9a-65
0.277
MAR-TRE-7f7bb9f0-81
0.275
MAR-TRE-b77b7921-72
0.271
MAR-TRE-d0525fbf-50
0.270
MAR-TRE-4b834d9a-57
0.269
MAR-TRE-67513f76-60
0.267
MAR-LAB-ca4662a6-9
0.260
MAR-TRE-9c797165-83
0.256
MAR-TRE-9c797165-68
0.253
MAR-TRE-e82e6c98-66
0.253
NAU-LAT-445f63e5-6
0.253
MAR-TRE-4b834d9a-64
0.250
MAR-TRE-f5c2d31c-96
0.245
MAR-TRE-67513f76-12
0.245
MAR-TRE-9c797165-32
0.245
MAT-POS-590ac91e-27
0.244
MAR-TRE-7f7bb9f0-94
0.244
MAR-TRE-3e4e6814-16
0.242
MAR-TRE-b77b7921-30
0.242
MAR-TRE-67513f76-45
0.242
MAR-TRE-f6f5f473-14
0.241
MAR-TRE-d0525fbf-99
0.240
MAR-TRE-f6f5f473-39
0.239
PET-SGC-cb62ec31-1
0.238
MAR-TRE-67513f76-89
0.237
MAR-TRE-7f7bb9f0-66
0.236
MAR-TRE-4b834d9a-100
0.236
TAT-ENA-0e28ea53-1
0.235
NAU-LAT-2fed8305-2
0.234
MAT-POS-b5746674-74
0.233
JAN-GHE-83b26c96-20
0.233
EDG-MED-0da5ad92-11
0.233
MAR-TRE-9c797165-5
0.233
MAR-TRE-04c86cea-81
0.233