Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cn1 |
MW: | 331.11 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8849606432 |
MolPort: | MolPort-045-075-425 |
aniline
MAR-TRE-f6f5f473-56
0.611
NAU-LAT-e1818702-5
0.531
MAR-TRE-f6f5f473-91
0.506
NAU-LAT-2fed8305-2
0.435
MAR-TRE-f6f5f473-69
0.430
JAN-GHE-83b26c96-20
0.427
EDG-MED-0da5ad92-11
0.427
MAR-TRE-f6f5f473-97
0.402
MAR-TRE-67513f76-75
0.395
NAU-LAT-2fed8305-7
0.393
MAR-TRE-b77b7921-85
0.379
NAU-LAT-e1818702-6
0.371
BAR-COM-0f94fc3d-25
0.348
MAR-TRE-f6f5f473-90
0.348
MAR-TRE-67513f76-14
0.341
ADA-UNI-f8e79267-12
0.330
MAR-TRE-4b834d9a-89
0.329
EDG-MED-0da5ad92-13
0.325
MAR-TRE-9c797165-69
0.321
MAR-TRE-9c797165-44
0.321
MAR-TRE-7f7bb9f0-20
0.318
MAR-TRE-7f7bb9f0-99
0.315
MAR-TRE-67513f76-3
0.315
MAR-TRE-74c6519b-53
0.315
MAR-TRE-67513f76-44
0.314
BEN-DND-61647d40-19
0.314
MAR-TRE-9c797165-2
0.310
MAR-TRE-67513f76-99
0.310
ADA-UNI-f8e79267-9
0.309
MAR-TRE-b77b7921-63
0.308
MAR-TRE-3e4e6814-39
0.307
MAR-TRE-f6f5f473-9
0.305
MAR-TRE-7f7bb9f0-14
0.304
SAD-SAT-7d5528d9-4
0.303
MAR-TRE-74c6519b-29
0.302
MAR-TRE-f6f5f473-74
0.301
MAR-TRE-3e4e6814-58
0.300
MAR-TRE-74c6519b-46
0.300
MAR-TRE-7f7bb9f0-86
0.299
MAR-TRE-3e4e6814-87
0.299
MAR-TRE-9c797165-70
0.298
MAR-TRE-d0525fbf-30
0.296
MAR-TRE-67513f76-31
0.295
MAR-TRE-3e4e6814-23
0.295
MAR-TRE-9c797165-77
0.294
MAR-TRE-7f7bb9f0-11
0.293
WAR-XCH-72a8c209-2
0.293
WAR-XCH-72a8c209-1
0.292
MAR-TRE-f6f5f473-25
0.292
MAR-TRE-f6f5f473-8
0.292
MAR-TRE-7f7bb9f0-63
0.290
MAR-TRE-9c797165-41
0.289
MAR-TRE-7f7bb9f0-45
0.289
SAD-SAT-7d5528d9-5
0.289
JAG-UCB-252a2f58-1
0.287
MAR-TRE-9c797165-33
0.287
MAR-TRE-7f7bb9f0-47
0.286
MAR-TRE-67513f76-35
0.286
SAD-SAT-7d5528d9-50
0.286
MAR-TRE-74c6519b-52
0.286
MAR-TRE-04c86cea-44
0.286
MAR-TRE-04c86cea-38
0.286
MAR-TRE-9c797165-84
0.284
MAR-TRE-67513f76-47
0.284
MAR-TRE-f6f5f473-28
0.284
MAR-TRE-3e4e6814-96
0.283
EDG-MED-0da5ad92-17
0.281
MAR-TRE-04c86cea-62
0.280
MAR-TRE-67513f76-38
0.280
MAR-TRE-9c797165-4
0.278
RUB-POS-1325a9ea-18
0.277
MEL-NAT-8c3652c8-9
0.275
MAR-TRE-7f7bb9f0-13
0.275
MAR-TRE-7f7bb9f0-67
0.274
MAK-UNK-ec98eaf6-3
0.274
MAR-TRE-d0525fbf-82
0.274
MAR-TRE-f6f5f473-73
0.274
MAT-POS-8695a11f-1
0.273
MAT-POS-8695a11f-3
0.273
MAR-TRE-4b834d9a-65
0.273
MAT-POS-d8472c4f-1
0.273
MAR-TRE-4b834d9a-58
0.271
MAR-TRE-7f7bb9f0-21
0.271
MAR-TRE-f6f5f473-77
0.271
JOH-UNI-ee5ed7c8-8
0.271
JOH-UNI-3fc3434e-8
0.271
EDG-MED-0da5ad92-2
0.271
MED-COV-4280ac29-11
0.270
MED-COV-4280ac29-32
0.267
MAR-TRE-f5c2d31c-36
0.267
JOR-UNI-2fc98d0b-1
0.265
VLA-UNK-4cf5aa07-2
0.264
MAR-TRE-67513f76-60
0.263
WAR-XCH-b6889685-36
0.263
ADA-UCB-dc2b944c-9
0.262
MAR-TRE-4b834d9a-64
0.261
MAK-UNK-ec98eaf6-4
0.261
MAR-TRE-74c6519b-24
0.260
MAR-TRE-74c6519b-48
0.260
EDJ-MED-96f6b92c-1
0.260