Molecular Properties | |
SMILES: | COc1ccc(CCN2CC(C(=O)Nc3cccnc3)CC2=O)cc1OC |
MW: | 369.17 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.76 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31790408 |
MAR-TRE-4b834d9a-58
0.713
MAR-TRE-2fd8122f-64
0.573
MAR-TRE-2fd8122f-42
0.511
KEI-TRE-d5e2018a-49
0.495
MAR-TRE-7f7bb9f0-18
0.441
KEI-TRE-d5e2018a-15
0.441
KEI-TRE-d5e2018a-97
0.429
MAR-TRE-2fd8122f-27
0.427
MAR-TRE-2fd8122f-50
0.417
KEI-TRE-d5e2018a-30
0.416
MAR-TRE-7f7bb9f0-27
0.416
MAR-TRE-2fd8122f-92
0.416
MAR-TRE-7f7bb9f0-67
0.411
KEI-TRE-d5e2018a-94
0.410
MAR-TRE-0fda4e82-16
0.404
MAR-TRE-74c6519b-51
0.400
MAR-TRE-2fd8122f-48
0.392
MAR-TRE-2fd8122f-75
0.390
MAR-TRE-74c6519b-66
0.389
LON-WEI-120e5cf5-11
0.385
MAR-TRE-2fd8122f-87
0.381
MAR-TRE-3e4e6814-50
0.380
MAR-TRE-d0525fbf-90
0.362
KEI-TRE-d5e2018a-87
0.358
MAR-TRE-2fd8122f-18
0.358
KEI-TRE-d5e2018a-75
0.355
MAR-TRE-7f7bb9f0-86
0.355
MAR-TRE-74c6519b-46
0.354
MAR-TRE-2fd8122f-35
0.352
MAR-TRE-74c6519b-63
0.351
MAR-TRE-4b834d9a-98
0.349
KEI-TRE-d5e2018a-33
0.349
KEI-TRE-d5e2018a-18
0.349
KEI-TRE-d5e2018a-80
0.347
KEI-TRE-d5e2018a-73
0.343
MAR-TRE-67513f76-20
0.340
MAR-TRE-4b834d9a-31
0.340
MAR-TRE-2fd8122f-19
0.340
MAR-TRE-2fd8122f-29
0.340
MAR-TRE-d0525fbf-24
0.339
MAR-TRE-7f7bb9f0-21
0.337
MAR-TRE-3e4e6814-54
0.337
MAR-TRE-2fd8122f-59
0.333
MAR-TRE-2fd8122f-81
0.333
MAR-TRE-9c797165-80
0.333
MAR-TRE-3e4e6814-6
0.333
KEI-TRE-d5e2018a-39
0.333
MAR-TRE-2fd8122f-8
0.330
MAR-TRE-04c86cea-17
0.330
KEI-TRE-d5e2018a-54
0.330
BAR-COM-21d20d65-2
0.330
MAR-TRE-2fd8122f-13
0.330
JAG-UCB-a3ef7265-7
0.330
KEI-TRE-d5e2018a-38
0.327
SAD-SAT-689b7d5a-7
0.327
MAR-TRE-f6f5f473-23
0.327
MAR-TRE-3e4e6814-24
0.327
MAR-TRE-6c5ef77a-42
0.326
KEI-TRE-d5e2018a-66
0.325
MAR-TRE-2fd8122f-33
0.324
KEI-TRE-d5e2018a-53
0.324
MAR-TRE-04c86cea-49
0.324
MAR-TRE-04c86cea-46
0.324
MAK-UNK-5d2caa6f-1
0.323
MAR-TRE-9c797165-77
0.323
MAR-TRE-f6f5f473-6
0.322
MAR-TRE-74c6519b-82
0.321
MAR-TRE-9c797165-95
0.321
MAR-TRE-74c6519b-67
0.321
WIL-UNI-5578df48-17
0.320
MAR-TRE-2fd8122f-12
0.318
MAR-TRE-2fd8122f-55
0.318
KEI-TRE-d5e2018a-93
0.318
PET-SGC-1fc12be1-1
0.316
KEI-TRE-d5e2018a-59
0.315
MAR-TRE-4b834d9a-79
0.315
DAV-CRI-1c77f7a9-6
0.315
MAR-TRE-2fd8122f-100
0.315
MAR-TRE-d0525fbf-54
0.315
DAR-DIA-842b4336-11
0.315
KEI-TRE-d5e2018a-2
0.315
DAR-DIA-842b4336-2
0.315
BAR-COM-21d20d65-1
0.314
BAR-COM-21d20d65-7
0.314
MAR-TRE-04c86cea-35
0.314
ADA-UNI-f8e79267-12
0.314
BAR-COM-21d20d65-4
0.314
MAR-TRE-4b834d9a-68
0.313
MAR-TRE-2fd8122f-3
0.313
MAR-TRE-b77b7921-31
0.313
KEI-TRE-d5e2018a-41
0.312
KEI-TRE-d5e2018a-50
0.312
CHA-MCP-85291e1d-1
0.310
KEI-TRE-d5e2018a-78
0.310
MAR-TRE-67513f76-81
0.309
MAR-TRE-2fd8122f-80
0.308
KEI-TRE-d5e2018a-72
0.308
MAR-TRE-04c86cea-18
0.307
MAR-TRE-9c797165-52
0.306
ADA-UNI-f8e79267-6
0.306