Molecular Properties | |
SMILES: | Cn1ncc2c(=O)[nH]c(CCC(=O)Nc3cccnc3)nc21 |
MW: | 298.12 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.56 |
cLogP: | 0.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z296054904 |
MAR-TRE-2fd8122f-93
0.583
MAR-TRE-9c797165-12
0.488
MAR-TRE-67513f76-97
0.461
MAR-TRE-9c797165-87
0.430
MAR-TRE-3e4e6814-100
0.418
MAR-TRE-3e4e6814-50
0.417
MAR-TRE-9c797165-57
0.411
MAR-TRE-04c86cea-96
0.406
DAR-DIA-842b4336-11
0.395
ALE-HEI-f28a35b5-14
0.395
MAR-TRE-74c6519b-58
0.393
MAR-TRE-04c86cea-64
0.389
JOH-IMS-62aeb97d-5
0.389
MAR-TRE-4b834d9a-82
0.385
MAR-TRE-fd17a9b8-39
0.385
MAR-TRE-67513f76-92
0.385
KEI-TRE-d5e2018a-92
0.380
MAR-TRE-67513f76-81
0.380
MAR-TRE-3e4e6814-61
0.376
MAR-TRE-7f7bb9f0-15
0.371
CHA-MCP-85291e1d-4
0.371
MAK-UNK-ca11b4f7-1
0.370
MAR-TRE-74c6519b-42
0.370
SAD-SAT-24589cd1-4
0.367
KEI-TRE-d5e2018a-68
0.366
MAR-TRE-2fd8122f-62
0.365
MAR-TRE-4b834d9a-97
0.365
MAR-TRE-c8530538-95
0.362
MAR-TRE-f6f5f473-71
0.360
MAR-TRE-9c797165-60
0.359
MAR-TRE-2fd8122f-68
0.359
MAR-TRE-2fd8122f-72
0.359
AUS-ARG-7cfdce8f-11
0.358
MAR-TRE-d0525fbf-33
0.357
MAR-TRE-9c797165-21
0.355
MAR-TRE-04c86cea-51
0.354
MAR-TRE-04c86cea-97
0.352
MAR-TRE-4b834d9a-77
0.351
MAR-TRE-67513f76-93
0.349
MAR-TRE-67513f76-87
0.348
MAR-TRE-9c797165-52
0.348
MAR-TRE-7f7bb9f0-30
0.347
MAR-TRE-9c797165-95
0.347
DAR-DIA-842b4336-2
0.346
MAR-TRE-2fd8122f-27
0.346
DAR-DIA-842b4336-12
0.345
MAR-TRE-2fd8122f-99
0.344
MAR-TRE-7f7bb9f0-53
0.343
MAK-UNK-a7b37c5e-5
0.341
MAR-TRE-4b834d9a-31
0.341
MAR-TRE-67513f76-20
0.341
MAR-TRE-3e4e6814-67
0.341
MAR-TRE-3e4e6814-28
0.340
MAR-TRE-67513f76-55
0.340
MAR-TRE-2fd8122f-100
0.340
MAR-TRE-04c86cea-87
0.339
SAN-PRS-52b81272-2
0.338
CHR-SOS-f7373dd1-5
0.337
MAR-TRE-7f7bb9f0-49
0.337
MAR-TRE-b77b7921-74
0.337
MAR-TRE-7f7bb9f0-12
0.337
MAR-TRE-04c86cea-41
0.337
MAR-TRE-7f7bb9f0-50
0.337
MAR-TRE-b77b7921-78
0.337
WIL-UNI-2a57d06c-41
0.333
MAK-UNK-c749d764-17
0.333
DAR-DIA-23aa0b97-16
0.333
MAR-TRE-04c86cea-93
0.333
MAR-TRE-7f7bb9f0-38
0.333
MAR-TRE-9c797165-31
0.330
MAR-TRE-3e4e6814-66
0.330
MAR-TRE-74c6519b-51
0.330
MAR-TRE-3e4e6814-59
0.330
KEI-TRE-d5e2018a-74
0.330
MAR-TRE-67513f76-13
0.330
CHR-SOS-f7373dd1-2
0.330
MAR-TRE-2fd8122f-78
0.330
ALE-HEI-f28a35b5-5
0.329
MED-UNK-e6e8ef8a-6
0.329
MED-UNK-e6e8ef8a-5
0.329
MAK-UNK-a7b37c5e-4
0.329
DUN-NEW-f8ce3686-4
0.327
HAR-NEW-e34cb1ae-7
0.327
MAR-TRE-2fd8122f-20
0.327
MAR-TRE-b77b7921-39
0.327
MAR-TRE-3e4e6814-62
0.326
MAR-TRE-b77b7921-91
0.326
MAR-TRE-2fd8122f-37
0.326
MAR-TRE-67513f76-73
0.326
MAR-TRE-7f7bb9f0-46
0.326
KAL-WAB-eb347ebe-1
0.326
DAR-DIA-842b4336-16
0.326
MED-UNK-e6e8ef8a-3
0.326
KEI-TRE-d5e2018a-63
0.324
MAR-TRE-74c6519b-19
0.324
MAR-TRE-04c86cea-7
0.324
MAR-TRE-04c86cea-31
0.323
KEI-TRE-d5e2018a-67
0.323
MAR-TRE-7f7bb9f0-81
0.323
MAR-TRE-4b834d9a-96
0.323