Molecular Properties | |
SMILES: | Cn1c(C#N)nc(CC2CCOc3ccc(Cl)cc32)c1NC(=O)c1cccnc1 |
MW: | 407.11 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.83 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-bd041b9b-30
0.673
DAR-DIA-bd041b9b-29
0.524
DAR-DIA-bd041b9b-14
0.509
DAR-DIA-bd041b9b-11
0.504
DAR-DIA-bd041b9b-8
0.476
DAR-DIA-bd041b9b-26
0.438
DAR-DIA-bd041b9b-33
0.389
DAR-DIA-bd041b9b-1
0.387
DAR-DIA-bd041b9b-19
0.386
MAT-POS-a54ce14d-1
0.371
RAL-THA-9041a04d-4
0.371
DAR-DIA-bd041b9b-13
0.370
MAK-UNK-919546f0-7
0.369
DAR-DIA-bd041b9b-15
0.359
DAR-DIA-bd041b9b-6
0.358
DAR-DIA-bd041b9b-22
0.357
RAL-THA-9041a04d-6
0.353
EDJ-MED-51d3200d-3
0.345
EDG-MED-fe7487f8-13
0.342
RAL-THA-3d7a794f-4
0.342
MAK-UNK-919546f0-1
0.342
MAK-UNK-f481d203-1
0.342
MAK-UNK-f481d203-2
0.342
BEN-DND-c852c98b-1
0.339
PET-UNK-064639eb-3
0.339
PET-UNK-064639eb-6
0.339
MAT-POS-b3e365b9-3
0.336
BRU-CON-c4e3408a-1
0.336
DAR-DIA-6a508060-6
0.336
JAN-GHE-f4ca5a00-13
0.336
MAT-POS-b3e365b9-4
0.336
PET-UNK-e274cad4-2
0.333
EDJ-MED-fb4b7746-4
0.333
RAL-THA-3d7a794f-1
0.333
PET-UNK-3e029fdc-1
0.333
NAU-LAT-b7d8c353-6
0.333
EDG-MED-0e5afe9d-1
0.333
RAL-THA-9041a04d-7
0.331
RAL-THA-9041a04d-5
0.331
BEN-DND-a7517465-10
0.331
RAL-THA-04c5403f-1
0.331
BEN-DND-c852c98b-8
0.331
LON-WEI-0a73fcb8-7
0.330
RAL-THA-9041a04d-1
0.328
PET-UNK-6314f867-1
0.328
BEN-DND-a7517465-3
0.328
PET-UNK-e274cad4-7
0.328
BEN-DND-a7517465-2
0.328
JAG-UCB-c61058a9-2
0.328
RAL-THA-3d7a794f-2
0.328
RAL-THA-3d7a794f-3
0.328
EDJ-MED-51d3200d-4
0.328
RAL-THA-b00e3cbf-1
0.325
MAT-POS-a2421bb6-4
0.325
MAT-POS-ee5e8e94-1
0.323
BEN-DND-a7517465-1
0.322
MAT-POS-51833a24-2
0.322
BEN-DND-a7517465-7
0.322
ALP-POS-902f21bb-2
0.322
BEN-DND-4f474d93-1
0.322
BEN-DND-4f474d93-3
0.322
MAT-POS-a2421bb6-1
0.322
ALP-POS-ce760d3f-2
0.322
MAT-POS-b5c94171-1
0.322
MAT-POS-8293a91a-1
0.322
BEN-DND-a7517465-9
0.320
BEN-DND-c852c98b-9
0.320
RAL-THA-9041a04d-2
0.320
MAT-POS-51833a24-4
0.320
NAU-LAT-b7d8c353-5
0.320
BEN-DND-4f474d93-2
0.319
ALP-POS-ce760d3f-3
0.319
EDJ-MED-e9694d2b-1
0.319
ERI-UCB-9c7ec71b-2
0.319
RAL-THA-b74298ba-1
0.319
NAU-LAT-8502cac5-10
0.319
JOH-UNI-ea72002d-2
0.318
MAT-POS-51833a24-3
0.317
BEN-DND-a7517465-5
0.317
RAL-THA-9041a04d-3
0.317
MAT-POS-500f4700-1
0.316
NAU-LAT-28398581-7
0.316
DAR-DIA-5ff57136-16
0.315
ALF-EVA-ced740bd-2
0.315
MIC-UNK-b904ca85-1
0.315
BEN-DND-a7517465-6
0.315
JAG-UCB-52b62a6f-13
0.314
JAG-UCB-52b62a6f-16
0.314
MAK-UNK-8be7dca9-9
0.314
ALP-POS-b3e0acc5-2
0.314
NAU-LAT-28398581-1
0.314
NAU-LAT-8502cac5-11
0.313
DAR-DIA-5ff57136-10
0.312
DAR-DIA-bd041b9b-9
0.312
JOH-UNI-f51e3bbc-3
0.311
BEN-DND-c852c98b-10
0.311
BEN-DND-a7517465-8
0.311
MAT-POS-a2421bb6-2
0.311
MAK-UNK-8be7dca9-7
0.311
ADA-UCB-dc2b944c-10
0.311