Molecular Properties | |
SMILES: | Cn1c(=O)c2c(ncn2CCCC(=O)Nc2cccnc2)n(C)c1=O |
MW: | 342.14 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.81 |
cLogP: | 0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z145985256 |
Filter82_pyridinium
MAR-TRE-9c797165-60
0.699
MAR-TRE-4b834d9a-97
0.548
MAR-TRE-2fd8122f-100
0.505
MAR-TRE-9c797165-87
0.467
ALE-HEI-f28a35b5-14
0.458
MAR-TRE-fffca54f-83
0.451
MAR-TRE-6c5ef77a-41
0.447
MAR-TRE-3e4e6814-61
0.443
MAR-TRE-9c797165-21
0.437
MAR-TRE-fd17a9b8-39
0.435
MAR-TRE-4b834d9a-82
0.435
MAR-TRE-9c797165-95
0.421
KEI-TRE-d5e2018a-68
0.416
MAR-TRE-4b834d9a-31
0.407
MAR-TRE-fffca54f-62
0.395
JOH-IMS-62aeb97d-5
0.394
KEI-TRE-d5e2018a-63
0.392
MAR-TRE-d0525fbf-33
0.389
MAR-TRE-3e4e6814-28
0.389
MAR-TRE-67513f76-81
0.386
KEI-TRE-d5e2018a-92
0.385
MAR-TRE-fffca54f-33
0.383
DAR-DIA-842b4336-11
0.383
MAR-TRE-74c6519b-58
0.382
MAR-TRE-3e4e6814-65
0.380
MAR-TRE-7f7bb9f0-30
0.378
MAR-TRE-3e4e6814-66
0.376
MAR-TRE-3e4e6814-100
0.376
MAR-TRE-2fd8122f-93
0.375
MAR-TRE-fffca54f-49
0.375
MAR-TRE-3e4e6814-67
0.375
KEI-TRE-fa9ada3e-4
0.375
MAK-UNK-ca11b4f7-1
0.375
MAR-TRE-74c6519b-42
0.374
MAR-TRE-3e4e6814-50
0.372
MAR-TRE-2fd8122f-20
0.371
MAR-TRE-9c797165-52
0.368
ALE-HEI-f28a35b5-5
0.366
MAR-TRE-04c86cea-93
0.366
MAR-TRE-2fd8122f-80
0.365
MAR-TRE-2fd8122f-68
0.363
MAR-TRE-9c797165-12
0.363
MAR-TRE-d0525fbf-64
0.363
MAR-TRE-3e4e6814-59
0.363
MAR-TRE-2fd8122f-72
0.363
DAR-DIA-842b4336-16
0.361
MAR-TRE-67513f76-73
0.360
MAR-TRE-c317dd82-59
0.359
MAR-TRE-7f7bb9f0-49
0.357
MAR-TRE-b77b7921-74
0.356
MAR-TRE-9c797165-57
0.355
SAD-SAT-24589cd1-4
0.354
MAR-TRE-04c86cea-31
0.354
MAR-TRE-7f7bb9f0-50
0.354
MAR-TRE-67513f76-87
0.352
MAR-TRE-f6f5f473-2
0.352
DAR-DIA-842b4336-12
0.349
MAR-TRE-67513f76-13
0.348
MAR-TRE-9c797165-48
0.348
KEI-TRE-d5e2018a-74
0.348
MAR-TRE-7f7bb9f0-15
0.347
MAR-TRE-04c86cea-5
0.346
KEI-TRE-d5e2018a-21
0.345
MAR-TRE-9c797165-94
0.344
CHA-MCP-85291e1d-4
0.344
MAR-TRE-67513f76-92
0.344
MAR-TRE-67513f76-97
0.344
DUN-NEW-f8ce3686-4
0.343
MAK-UNK-ca11b4f7-2
0.342
SAN-PRS-52b81272-2
0.342
DAR-DIA-842b4336-10
0.341
MAR-TRE-67513f76-67
0.341
MAR-TRE-04c86cea-97
0.341
MAR-TRE-b77b7921-78
0.340
MAK-UNK-c749d764-17
0.337
MAR-TRE-67513f76-93
0.337
DAR-DIA-842b4336-14
0.337
MAR-TRE-04c86cea-64
0.337
DAR-DIA-842b4336-2
0.333
MED-UNK-e6e8ef8a-6
0.333
MAR-TRE-2fd8122f-78
0.333
MAR-TRE-9c797165-31
0.333
MAR-TRE-04c86cea-40
0.333
DAR-DIA-842b4336-13
0.333
MAK-UNK-a7b37c5e-4
0.333
KAD-UNI-877d7bed-4
0.333
CHR-SOS-b301fc01-4
0.333
MED-UNK-e6e8ef8a-5
0.333
MAK-UNK-d1e89583-1
0.333
MAR-TRE-67513f76-55
0.330
MAR-TRE-2fd8122f-37
0.330
MAR-TRE-b77b7921-91
0.330
MAR-TRE-3e4e6814-93
0.330
MED-UNK-e6e8ef8a-3
0.329
AUS-ARG-7cfdce8f-11
0.329
MAK-UNK-a7b37c5e-5
0.329
DUN-NEW-f8ce3686-8
0.327
MAR-TRE-7f7bb9f0-72
0.327
MAR-TRE-4b834d9a-77
0.327
KEI-TRE-d5e2018a-67
0.327