Molecular Properties | |
SMILES: | COc1cc2ncn(CCCC(=O)Nc3cccnc3)c(=O)c2cc1OC |
MW: | 368.15 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 95.34 |
cLogP: | 2.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z194863136 |
Filter82_pyridinium
MAR-TRE-9c797165-95
0.821
MAR-TRE-4b834d9a-97
0.631
MAR-TRE-2fd8122f-62
0.505
MAR-TRE-3e4e6814-61
0.489
MAR-TRE-3e4e6814-50
0.471
MAR-TRE-9c797165-87
0.448
ALE-HEI-f28a35b5-14
0.418
MAR-TRE-fd17a9b8-39
0.404
MAR-TRE-4b834d9a-82
0.404
KEI-TRE-d5e2018a-92
0.400
KEI-TRE-d5e2018a-63
0.393
MAR-TRE-d0525fbf-33
0.390
KEI-TRE-d5e2018a-68
0.385
MAR-TRE-9c797165-52
0.385
MAR-TRE-9c797165-60
0.379
MAR-TRE-9c797165-21
0.375
MAR-TRE-67513f76-81
0.368
MAR-TRE-3e4e6814-65
0.367
MAR-TRE-3e4e6814-66
0.364
JOH-IMS-62aeb97d-5
0.359
MAR-TRE-2fd8122f-35
0.358
KEI-TRE-d5e2018a-66
0.355
DAR-DIA-842b4336-11
0.352
MAR-TRE-2fd8122f-72
0.351
MAR-TRE-3e4e6814-100
0.350
KEI-TRE-d5e2018a-54
0.350
MAR-TRE-67513f76-55
0.347
MAR-TRE-3e4e6814-28
0.347
MAR-TRE-2fd8122f-20
0.346
MAR-TRE-7f7bb9f0-90
0.344
MAR-TRE-04c86cea-97
0.344
MAK-UNK-ca11b4f7-1
0.342
MAR-TRE-67513f76-87
0.340
MAR-TRE-74c6519b-58
0.340
MAR-TRE-3e4e6814-6
0.340
MAR-TRE-04c86cea-93
0.340
MAR-TRE-2fd8122f-80
0.340
MAR-TRE-7f7bb9f0-6
0.337
MAR-TRE-4b834d9a-43
0.337
KEI-TRE-d5e2018a-58
0.337
KEI-TRE-d5e2018a-21
0.336
SAD-SAT-689b7d5a-7
0.333
MAR-TRE-74c6519b-42
0.333
CHA-MCP-85291e1d-4
0.333
DUN-NEW-f8ce3686-9
0.333
KEI-TRE-d5e2018a-18
0.330
KEI-TRE-d5e2018a-33
0.330
MAR-TRE-b77b7921-78
0.330
MAR-TRE-7f7bb9f0-50
0.330
MAR-TRE-3e4e6814-79
0.330
MAR-TRE-04c86cea-41
0.330
KEI-TRE-d5e2018a-26
0.330
KEI-TRE-d5e2018a-67
0.330
MAR-TRE-9c797165-57
0.330
MAR-TRE-7f7bb9f0-30
0.327
KEI-TRE-d5e2018a-87
0.327
MAR-TRE-4b834d9a-78
0.326
MAR-TRE-9c797165-31
0.324
MAR-TRE-2fd8122f-55
0.324
KEI-TRE-d5e2018a-75
0.324
MAR-TRE-7f7bb9f0-15
0.324
MAR-TRE-2fd8122f-93
0.324
MAR-TRE-9c797165-12
0.323
MAR-TRE-9c797165-48
0.323
KEI-TRE-d5e2018a-74
0.323
DAR-DIA-842b4336-12
0.322
ALE-HEI-f28a35b5-5
0.322
DAR-DIA-842b4336-2
0.322
MAK-UNK-d1e89583-1
0.322
MAR-TRE-74c6519b-63
0.322
KEI-TRE-d5e2018a-59
0.321
MAR-TRE-b77b7921-39
0.321
KEI-TRE-d5e2018a-2
0.321
LON-WEI-4d77710c-22
0.320
LON-WEI-5e7d1b3e-22
0.320
MAR-TRE-67513f76-97
0.320
SAD-SAT-689b7d5a-8
0.320
MAR-TRE-4b834d9a-31
0.320
MAR-TRE-2fd8122f-37
0.320
KEI-TRE-d5e2018a-44
0.320
DAR-DIA-842b4336-16
0.319
KEI-TRE-d5e2018a-50
0.318
MAR-TRE-04c86cea-96
0.318
KEI-TRE-d5e2018a-53
0.318
MAR-TRE-04c86cea-31
0.317
MAR-TRE-4b834d9a-96
0.317
KEI-TRE-d5e2018a-39
0.315
MAR-TRE-2fd8122f-74
0.315
KEI-TRE-d5e2018a-78
0.315
DAR-DIA-842b4336-10
0.315
MAR-TRE-04c86cea-64
0.314
SAN-PRS-52b81272-2
0.314
KEI-TRE-d5e2018a-14
0.313
MAR-TRE-3e4e6814-39
0.312
MAR-TRE-b77b7921-17
0.312
MAR-TRE-2fd8122f-87
0.312
KEI-TRE-d5e2018a-93
0.312
MAR-TRE-67513f76-93
0.312
MED-UNK-e6e8ef8a-4
0.312
MAR-TRE-74c6519b-56
0.311