Molecular Properties | |
SMILES: | CC(=O)c1cn(CC(=O)Nc2cccnc2)c2ccccc12 |
MW: | 293.12 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.99 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8546248028 |
MolPort: | MolPort-008-321-059 |
Ketone
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-68
0.690
DUN-NEW-f8ce3686-8
0.600
DUN-NEW-f8ce3686-9
0.477
MAR-TRE-2fd8122f-68
0.457
MAR-TRE-4b834d9a-31
0.456
MAR-TRE-67513f76-55
0.451
MAR-TRE-9c797165-21
0.434
JOH-IMS-62aeb97d-5
0.431
MAR-TRE-4b834d9a-96
0.429
MAR-TRE-2fd8122f-78
0.429
MAR-TRE-67513f76-81
0.422
MAR-TRE-9c797165-60
0.422
DAR-DIA-842b4336-11
0.413
MAK-UNK-ca11b4f7-1
0.409
SAN-PRS-52b81272-2
0.408
MAR-TRE-74c6519b-55
0.407
MAR-TRE-3e4e6814-61
0.407
MAR-TRE-67513f76-73
0.405
MAR-TRE-c317dd82-59
0.400
DUN-NEW-f8ce3686-4
0.394
AUS-ARG-7cfdce8f-11
0.392
MAR-TRE-7f7bb9f0-50
0.391
MAR-TRE-3e4e6814-65
0.391
MAR-TRE-2fd8122f-43
0.391
MAR-TRE-2fd8122f-49
0.391
MAR-TRE-3e4e6814-100
0.386
MAR-TRE-3e4e6814-66
0.386
MAR-TRE-2fd8122f-54
0.384
SAD-SAT-24589cd1-4
0.384
MAR-TRE-3e4e6814-50
0.383
MAK-UNK-a7b37c5e-4
0.378
KEI-TRE-d5e2018a-67
0.378
MAR-TRE-4b834d9a-97
0.378
KEI-TRE-d5e2018a-26
0.378
EDG-MED-0da5ad92-2
0.377
KEI-TRE-d5e2018a-45
0.376
MAR-TRE-2fd8122f-91
0.375
MAR-TRE-4b834d9a-45
0.375
KEI-TRE-d5e2018a-37
0.375
MAR-TRE-2fd8122f-47
0.375
ALE-HEI-f28a35b5-14
0.375
CHR-SOS-70e4c98a-6
0.375
NAU-LAT-64f4b287-10
0.373
MAK-UNK-a7b37c5e-5
0.373
MAK-UNK-ca11b4f7-3
0.373
BAR-COM-0f94fc3d-20
0.372
MAR-TRE-d0525fbf-64
0.372
MAK-UNK-a7b37c5e-2
0.372
MAR-TRE-04c86cea-71
0.371
ANN-UNI-26382800-5
0.370
KAL-WAB-eb347ebe-1
0.370
KEI-TRE-d5e2018a-44
0.369
MAR-TRE-9c797165-94
0.369
MAR-TRE-b77b7921-91
0.369
DAR-DIA-842b4336-10
0.368
MAR-TRE-04c86cea-40
0.368
MAR-TRE-74c6519b-68
0.368
NIM-UNI-02269248-2
0.367
MAR-TRE-7f7bb9f0-49
0.367
CHR-SOS-70e4c98a-8
0.366
CHA-MCP-85291e1d-1
0.365
KEI-TRE-d5e2018a-7
0.364
MAK-UNK-c749d764-17
0.364
DAR-DIA-23aa0b97-16
0.364
MAR-TRE-4b834d9a-16
0.364
MAK-UNK-a7b37c5e-1
0.364
MAR-TRE-2fd8122f-30
0.363
MAR-TRE-4b834d9a-63
0.363
MAR-TRE-74c6519b-58
0.360
DUN-NEW-f8ce3686-6
0.360
MAR-TRE-f6f5f473-46
0.360
MAR-TRE-b77b7921-52
0.360
MED-UNK-e6e8ef8a-6
0.359
DAR-DIA-842b4336-13
0.359
DAR-DIA-842b4336-12
0.359
ALE-HEI-f28a35b5-5
0.359
CHR-SOS-70e4c98a-3
0.357
MAR-TRE-67513f76-13
0.357
BAR-COM-0f94fc3d-14
0.356
MAR-TRE-9c797165-87
0.355
MAR-TRE-4b834d9a-82
0.355
MAR-TRE-fd17a9b8-39
0.355
TAM-UNI-c140e31a-12
0.355
MED-UNK-e6e8ef8a-2
0.354
DAR-DIA-842b4336-16
0.354
FRA-FAC-9ed5a63a-2
0.354
MED-UNK-e6e8ef8a-3
0.354
MAR-TRE-74c6519b-47
0.354
DAR-DIA-23aa0b97-17
0.354
MAR-TRE-2fd8122f-37
0.353
MAR-TRE-67513f76-92
0.352
MAR-TRE-3e4e6814-28
0.352
LON-WEI-4d77710c-22
0.352
LON-WEI-5e7d1b3e-22
0.352
MAR-TRE-7f7bb9f0-76
0.351
BEN-DND-362d364a-10
0.351
TAM-UNI-c140e31a-6
0.351
MAK-UNK-c749d764-27
0.350
KEI-TRE-d5e2018a-60
0.350
MAR-TRE-7f7bb9f0-90
0.349