Molecular Properties | |
SMILES: | Cn1c(=O)n(CC(=O)Nc2cccnc2)c2ccccc21 |
MW: | 282.11 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.92 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3594809768 |
MolPort: | MolPort-002-094-105 |
MAR-TRE-4b834d9a-96
0.519
MAR-TRE-9c797165-60
0.494
KEI-TRE-d5e2018a-74
0.456
JOH-IMS-62aeb97d-5
0.452
MAR-TRE-9c797165-21
0.450
MAR-TRE-2fd8122f-54
0.450
MAR-TRE-67513f76-81
0.443
MAR-TRE-d0525fbf-45
0.441
MAR-TRE-67513f76-73
0.440
MAR-TRE-2fd8122f-43
0.439
MAR-TRE-74c6519b-42
0.432
DAR-DIA-842b4336-11
0.431
MAK-UNK-ca11b4f7-1
0.429
NAU-LAT-64f4b287-10
0.423
MAR-TRE-b77b7921-52
0.422
DUN-NEW-f8ce3686-8
0.420
MAR-TRE-b77b7921-91
0.418
ALE-HEI-f28a35b5-14
0.412
KEI-TRE-d5e2018a-68
0.410
MAR-TRE-2fd8122f-78
0.408
MAR-TRE-74c6519b-58
0.407
MAR-TRE-2fd8122f-62
0.407
SAN-PRS-52b81272-2
0.406
KEI-TRE-d5e2018a-37
0.405
MAR-TRE-4b834d9a-45
0.405
MAR-TRE-2fd8122f-49
0.405
MAR-TRE-2fd8122f-91
0.405
MAR-TRE-3e4e6814-65
0.405
MAR-TRE-7f7bb9f0-46
0.403
MAR-TRE-d0525fbf-64
0.402
MAR-TRE-3e4e6814-66
0.400
MAR-TRE-d0525fbf-33
0.398
MAR-TRE-67513f76-55
0.398
MAK-UNK-c749d764-17
0.397
MED-UNK-e6e8ef8a-4
0.395
MAR-TRE-2fd8122f-63
0.393
MAR-TRE-9c797165-52
0.392
MED-UNK-e6e8ef8a-6
0.392
TAM-UNI-c140e31a-13
0.391
KEI-TRE-d5e2018a-45
0.390
CHR-SOS-70e4c98a-6
0.390
AUS-ARG-7cfdce8f-11
0.389
MAR-TRE-f6f5f473-46
0.388
MED-UNK-e6e8ef8a-3
0.387
MAR-TRE-2fd8122f-68
0.386
DAR-DIA-842b4336-10
0.384
MAR-TRE-2fd8122f-93
0.382
MAR-TRE-c317dd82-59
0.381
MAR-TRE-04c86cea-40
0.380
SAD-SAT-24589cd1-4
0.380
CHR-SOS-70e4c98a-8
0.380
MAK-UNK-a7b37c5e-1
0.378
AAR-POS-d2a4d1df-13
0.378
FRA-FAC-9ed5a63a-1
0.378
ALE-HEI-f28a35b5-9
0.378
MAR-TRE-3e4e6814-27
0.378
DUN-NEW-f8ce3686-9
0.378
MAR-TRE-2fd8122f-30
0.375
MAK-UNK-d1e89583-1
0.375
MAK-UNK-a7b37c5e-4
0.375
KEI-TRE-d5e2018a-26
0.375
KEI-TRE-d5e2018a-67
0.375
DAR-DIA-842b4336-2
0.375
MAR-TRE-4b834d9a-63
0.375
BAR-COM-4e090d3a-51
0.373
MED-UNK-e6e8ef8a-5
0.373
ALE-HEI-f28a35b5-5
0.373
DAR-DIA-842b4336-12
0.373
MAR-TRE-3e4e6814-61
0.372
MAR-TRE-67513f76-13
0.370
CHR-SOS-70e4c98a-3
0.370
ALE-HEI-f28a35b5-16
0.370
MAK-UNK-a7b37c5e-5
0.370
MAK-UNK-ca11b4f7-3
0.369
MAR-TRE-2fd8122f-72
0.369
MED-UNK-e6e8ef8a-2
0.368
MAK-UNK-a7b37c5e-2
0.368
FRA-FAC-9ed5a63a-2
0.368
DAR-DIA-842b4336-16
0.368
MAR-TRE-3e4e6814-100
0.368
CHR-SOS-f7373dd1-4
0.367
MAR-TRE-7f7bb9f0-84
0.367
MAR-TRE-2fd8122f-9
0.367
TAM-UNI-c140e31a-7
0.367
KEI-TRE-d5e2018a-6
0.367
MAR-TRE-2fd8122f-37
0.366
MAR-TRE-74c6519b-54
0.366
MAR-TRE-67513f76-92
0.365
MAR-TRE-7f7bb9f0-49
0.364
CHR-SOS-f7373dd1-5
0.364
MAK-UNK-c749d764-27
0.364
BEN-DND-362d364a-10
0.363
MAR-TRE-7f7bb9f0-76
0.363
DUN-NEW-f8ce3686-4
0.362
CHR-SOS-70e4c98a-1
0.361
MAR-TRE-9c797165-57
0.360
DAR-DIA-23aa0b97-16
0.360
JOH-IMS-62aeb97d-2
0.360
BEN-DND-362d364a-11
0.360
MAR-TRE-4b834d9a-97
0.360