Molecular Properties | |
SMILES: | COc1cccc(C2(C(=O)Nc3ccc(N)nc3)CCCC2)c1 |
MW: | 311.16 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.24 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6966463195 |
MolPort: | MolPort-045-075-459 |
aniline
MAR-TRE-f6f5f473-69
0.640
MAR-TRE-04c86cea-78
0.506
MAR-TRE-f6f5f473-56
0.450
MAR-TRE-f6f5f473-97
0.402
MAR-TRE-3e4e6814-87
0.395
MAR-TRE-7f7bb9f0-21
0.371
MAR-TRE-3e4e6814-39
0.369
MAR-TRE-f6f5f473-25
0.363
MAR-TRE-f6f5f473-90
0.363
MAR-TRE-74c6519b-46
0.360
MAR-TRE-b77b7921-85
0.348
MAR-TRE-74c6519b-53
0.345
MAR-TRE-9d18ae8c-13
0.344
MAR-TRE-3e4e6814-96
0.341
MAR-TRE-b77b7921-63
0.337
MAR-TRE-b77b7921-72
0.333
MAR-TRE-f6f5f473-73
0.330
MAR-TRE-74c6519b-52
0.330
MAR-TRE-92684b97-14
0.330
MAR-TRE-3e4e6814-58
0.330
MAR-TRE-4b834d9a-89
0.329
MAR-TRE-67513f76-44
0.329
MAR-TRE-67513f76-47
0.329
MAR-TRE-9c797165-84
0.329
MAR-TRE-04c86cea-38
0.326
MAR-TRE-67513f76-14
0.326
MAR-TRE-9c797165-2
0.326
MAR-TRE-67513f76-75
0.325
MAR-TRE-04c86cea-62
0.320
MAR-TRE-f5c2d31c-97
0.318
MAR-TRE-7f7bb9f0-20
0.318
MAR-TRE-9c797165-33
0.315
MAR-TRE-f6f5f473-28
0.314
MAR-TRE-7f7bb9f0-86
0.314
MAR-TRE-9c797165-70
0.313
MAR-TRE-4b834d9a-62
0.311
MAR-TRE-9c797165-77
0.310
MAR-TRE-67513f76-99
0.310
MAR-TRE-67513f76-31
0.309
MAR-TRE-4b834d9a-58
0.308
MAR-TRE-9c797165-4
0.307
MAR-TRE-9c797165-44
0.305
MAR-TRE-7f7bb9f0-63
0.304
MAR-TRE-74c6519b-29
0.302
MAR-TRE-7f7bb9f0-67
0.301
MAR-TRE-7f7bb9f0-99
0.300
JAN-GHE-83b26c96-20
0.300
EDG-MED-0da5ad92-11
0.300
MAR-TRE-3e4e6814-79
0.299
MAR-TRE-04c86cea-44
0.299
MAR-TRE-67513f76-35
0.299
NAU-LAT-e1818702-6
0.298
MAR-TRE-74c6519b-50
0.298
MAR-TRE-f6f5f473-8
0.292
MAR-TRE-f6f5f473-9
0.292
MAR-TRE-7f7bb9f0-45
0.289
MAR-TRE-d0525fbf-82
0.287
MAR-TRE-f6f5f473-74
0.287
MAR-TRE-7f7bb9f0-47
0.286
MAR-TRE-4b834d9a-65
0.286
MAR-TRE-67513f76-3
0.286
MAR-TRE-74c6519b-24
0.286
MAR-TRE-f6f5f473-77
0.284
MAR-TRE-d0525fbf-30
0.283
MAR-TRE-3e4e6814-23
0.281
MAR-TRE-7f7bb9f0-11
0.280
MAR-TRE-67513f76-45
0.280
MAR-TRE-7f7bb9f0-14
0.277
MAR-TRE-2fd8122f-97
0.275
MAR-TRE-9c797165-41
0.275
MAR-TRE-74c6519b-48
0.273
MAR-TRE-f6f5f473-14
0.273
MAR-TRE-9c797165-5
0.272
NAU-LAT-2fed8305-2
0.271
CHA-MCP-85291e1d-6
0.269
MAR-TRE-7f7bb9f0-90
0.267
MAR-TRE-d0525fbf-50
0.267
MAR-TRE-67513f76-38
0.266
MAR-TRE-7f7bb9f0-13
0.262
MAR-TRE-6a44bbf2-76
0.261
MAR-TRE-9c797165-69
0.261
CHA-MCP-85291e1d-3
0.260
MAR-TRE-67513f76-55
0.260
PET-SGC-1fc12be1-1
0.258
MAR-TRE-0fda4e82-59
0.257
MAR-TRE-7f7bb9f0-46
0.256
MAR-TRE-fd17a9b8-63
0.255
MAR-TRE-4f781e27-35
0.255
ALV-UNI-7ff1a6f9-47
0.255
CHR-SOS-70e4c98a-5
0.255
MAR-TRE-67513f76-12
0.255
CHR-SOS-70e4c98a-4
0.255
MAR-TRE-74c6519b-12
0.255
ANN-UNI-26382800-6
0.253
AGN-NEW-891393a6-1
0.253
EDJ-MED-e58735b6-1
0.250
MAR-TRE-8190bb11-70
0.250
CHR-SOS-e960e883-2
0.250
CHR-SOS-f7373dd1-5
0.250
CHR-SOS-70e4c98a-12
0.250