Molecular Properties | |
SMILES: | CC(=O)c1cn(CCC(=O)Nc2cccnc2)c2ccccc12 |
MW: | 307.13 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 63.99 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1627346022 |
MolPort: | MolPort-008-343-792 |
Ketone
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-74
0.690
MAR-TRE-3e4e6814-61
0.519
DUN-NEW-f8ce3686-9
0.518
DUN-NEW-f8ce3686-8
0.477
MAR-TRE-9c797165-87
0.471
MAR-TRE-3e4e6814-100
0.459
MAR-TRE-9c797165-95
0.456
MAR-TRE-74c6519b-58
0.434
MAR-TRE-4b834d9a-97
0.432
ALE-HEI-f28a35b5-14
0.423
DAR-DIA-842b4336-11
0.421
JOH-IMS-62aeb97d-5
0.418
MAR-TRE-2fd8122f-62
0.416
MAR-TRE-4b834d9a-31
0.410
MAR-TRE-67513f76-81
0.409
MAR-TRE-3e4e6814-50
0.407
MAR-TRE-04c86cea-97
0.407
MAR-TRE-3e4e6814-28
0.407
MAR-TRE-74c6519b-42
0.407
MAR-TRE-fd17a9b8-39
0.407
MAR-TRE-4b834d9a-82
0.407
MAR-TRE-9c797165-57
0.402
AUS-ARG-7cfdce8f-11
0.400
MAR-TRE-74c6519b-55
0.398
SAN-PRS-52b81272-2
0.397
MAK-UNK-ca11b4f7-1
0.397
MAR-TRE-2fd8122f-72
0.395
MAR-TRE-7f7bb9f0-30
0.394
SAD-SAT-24589cd1-4
0.392
KEI-TRE-d5e2018a-92
0.386
MAR-TRE-4b834d9a-96
0.386
MAR-TRE-2fd8122f-100
0.385
MAR-TRE-2fd8122f-78
0.383
MAR-TRE-04c86cea-71
0.378
KEI-TRE-d5e2018a-44
0.376
MAR-TRE-d0525fbf-33
0.376
MAR-TRE-67513f76-92
0.375
MAR-TRE-67513f76-87
0.369
MAK-UNK-a7b37c5e-4
0.368
MAR-TRE-04c86cea-87
0.368
EDG-MED-0da5ad92-2
0.367
MAR-TRE-2fd8122f-80
0.366
MAR-TRE-67513f76-13
0.365
MAK-UNK-a7b37c5e-5
0.364
MAR-TRE-9c797165-60
0.364
MAR-TRE-2fd8122f-68
0.364
DAR-DIA-842b4336-16
0.362
MAK-UNK-a7b37c5e-2
0.362
MAK-UNK-ca11b4f7-3
0.362
MAR-TRE-7f7bb9f0-15
0.362
ANN-UNI-26382800-5
0.361
KAL-WAB-eb347ebe-1
0.361
MAR-TRE-2fd8122f-37
0.360
CHA-MCP-85291e1d-4
0.360
MAR-TRE-9c797165-94
0.360
MAR-TRE-04c86cea-5
0.360
MAR-TRE-9c797165-21
0.360
MAR-TRE-74c6519b-68
0.360
MAR-TRE-67513f76-55
0.360
DAR-DIA-842b4336-10
0.359
CHA-MCP-85291e1d-2
0.357
CHA-MCP-85291e1d-1
0.356
PAU-UNI-b33c5197-1
0.355
MAR-TRE-04c86cea-31
0.355
MAK-UNK-a7b37c5e-1
0.354
MAK-UNK-c749d764-17
0.354
DAR-DIA-23aa0b97-16
0.354
MAR-TRE-b77b7921-78
0.354
CHA-MCP-85291e1d-5
0.353
MAR-TRE-9c797165-52
0.353
KEI-TRE-d5e2018a-14
0.352
MAR-TRE-2fd8122f-47
0.352
MAR-TRE-3e4e6814-65
0.352
MAR-TRE-04c86cea-93
0.352
DAR-DIA-842b4336-2
0.351
MAK-UNK-d1e89583-1
0.351
DAR-DIA-842b4336-12
0.350
DAR-DIA-842b4336-13
0.350
ALE-HEI-f28a35b5-5
0.350
MED-UNK-e6e8ef8a-6
0.350
CHR-SOS-70e4c98a-6
0.349
MAR-TRE-2fd8122f-60
0.349
MAR-TRE-9c797165-12
0.348
MAR-TRE-9c797165-48
0.348
MAR-TRE-7f7bb9f0-82
0.348
MAR-TRE-3e4e6814-66
0.348
MAR-TRE-2fd8122f-93
0.347
MAR-TRE-9c797165-31
0.347
MED-UNK-e6e8ef8a-2
0.346
FRA-FAC-9ed5a63a-2
0.346
MED-UNK-e6e8ef8a-3
0.346
MAR-TRE-67513f76-73
0.345
MAR-TRE-74c6519b-47
0.345
MAR-TRE-3e4e6814-67
0.345
MAR-TRE-04c86cea-81
0.345
MAR-TRE-c317dd82-59
0.344
LON-WEI-4d77710c-22
0.344
LON-WEI-5e7d1b3e-22
0.344
MAK-UNK-c749d764-27
0.341
MAR-TRE-7f7bb9f0-49
0.341