Molecular Properties | |
SMILES: | Cn1c(C#N)nc(Cc2cccc(Cl)c2)c1NC(=O)c1ccc(=O)[nH]n1 |
MW: | 368.08 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 116.46 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-bd041b9b-18
0.706
DAR-DIA-bd041b9b-27
0.659
DAR-DIA-bd041b9b-29
0.607
DAR-DIA-bd041b9b-25
0.524
DAR-DIA-bd041b9b-21
0.475
DAR-DIA-bd041b9b-3
0.462
DAR-DIA-bd041b9b-19
0.412
DAR-DIA-bd041b9b-10
0.405
DAR-DIA-bd041b9b-16
0.404
DAR-DIA-bd041b9b-4
0.354
DAR-DIA-bd041b9b-32
0.345
EDJ-MED-49816e9b-5
0.326
DAR-DIA-bd041b9b-2
0.325
DAR-DIA-bd041b9b-20
0.321
DAR-DIA-bd041b9b-24
0.317
EDJ-MED-49816e9b-3
0.312
DAR-DIA-bd041b9b-30
0.311
DAR-DIA-bd041b9b-31
0.306
VLA-UNK-411a133b-2
0.304
JAG-UCB-a3ef7265-15
0.301
EDG-MED-0da5ad92-21
0.301
VLA-UNK-411a133b-1
0.301
EDJ-MED-c8e7a002-6
0.301
PET-UNK-6314f867-3
0.301
NAU-LAT-a5c7d7cb-11
0.300
DAR-DIA-bd041b9b-5
0.299
PET-UNK-6314f867-2
0.295
MAT-POS-c20a539d-5
0.295
EDJ-MED-c8e7a002-5
0.292
PET-UNK-e274cad4-1
0.291
EDJ-MED-b24713dc-4
0.291
RUB-POS-1325a9ea-14
0.291
AGN-NEW-c7b24fe3-4
0.289
BEN-DND-1e24cf73-2
0.288
PET-UNK-8df914d1-4
0.287
JAN-GHE-5a013bed-4
0.287
JAG-UCB-a3ef7265-17
0.287
NAU-LAT-e1818702-7
0.287
AAR-RCN-28a8122f-1
0.287
MAK-UNK-6ca90168-23
0.286
DAR-DIA-bd041b9b-12
0.286
MIC-UNK-d935700b-1
0.283
VLA-UNK-0ffe3317-6
0.282
EDJ-MED-c8e7a002-2
0.282
MAT-POS-0bc33984-2
0.281
BEN-DND-1e24cf73-6
0.280
NAU-LAT-a5c7d7cb-10
0.280
EDJ-MED-b24713dc-2
0.280
PET-UNK-e44ffd04-1
0.280
BEN-DND-02317c5c-8
0.280
EDJ-MED-c8e7a002-11
0.280
NAU-LAT-a5c7d7cb-12
0.280
DAR-DIA-bd041b9b-15
0.280
JAN-GHE-5a013bed-11
0.280
MIC-UNK-66895286-1
0.280
MAT-POS-f7918075-7
0.279
RUB-POS-1325a9ea-1
0.279
JOH-UNI-ee5ed7c8-8
0.279
JOH-UNI-3fc3434e-8
0.279
BEN-DND-1e24cf73-4
0.278
MAT-POS-29385cc1-2
0.278
EDJ-MED-c8e7a002-12
0.277
PET-UNK-8df914d1-2
0.277
BEN-DND-1e24cf73-1
0.277
MIC-UNK-f2576da4-1
0.276
BEN-DND-1e24cf73-5
0.276
JOH-UNI-3fc3434e-9
0.275
JOH-UNI-ee5ed7c8-9
0.275
EDJ-MED-c8e7a002-13
0.275
PET-UNK-e274cad4-6
0.275
EDJ-MED-c8e7a002-14
0.275
RUB-POS-1325a9ea-12
0.275
EDG-MED-0da5ad92-16
0.274
EDG-MED-0da5ad92-13
0.274
EDJ-MED-c8e7a002-9
0.272
TRY-UNI-1fd04853-5
0.272
MIC-UNK-d935700b-2
0.272
EDJ-MED-c8e7a002-16
0.272
JIN-POS-6dc588a4-24
0.272
JAN-GHE-5a013bed-9
0.272
PET-UNK-158bee2a-2
0.272
MAT-POS-14ad9fe9-1
0.271
PET-UNK-8df914d1-5
0.270
MAT-POS-bb423b95-5
0.270
MIC-UNK-9dc9fcd1-4
0.270
EDJ-MED-b24713dc-3
0.269
RUB-POS-1325a9ea-15
0.269
ALP-POS-8b8a49e1-7
0.269
AAR-RCN-845f9611-1
0.268
JOH-UNI-6fede743-3
0.267
JIN-POS-6dc588a4-19
0.267
JOH-UNI-61f30276-1
0.267
ALP-POS-3b848b35-3
0.267
MAT-POS-bb423b95-6
0.267
JAN-GHE-5a013bed-5
0.267
DAR-DIA-bd041b9b-9
0.267
EDJ-MED-6e43a462-12
0.267
PET-UNK-a692de38-1
0.266
MAT-POS-90fd5f68-2
0.266
MAT-POS-500ca5bf-2
0.266