Molecular Properties | |
SMILES: | CC(C)(C)n1cnnc1NC(=O)[C@@H]1CCOc2ccccc21 |
MW: | 300.16 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.04 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-0e996074-1
0.662
EDJ-MED-2c295496-1
0.662
ANT-OPE-66a89c65-2
0.636
ANT-OPE-3d7cb11b-4
0.628
ANT-OPE-3d7cb11b-1
0.571
NAU-LAT-8502cac5-7
0.553
NAU-LAT-8502cac5-1
0.536
NAU-LAT-8502cac5-9
0.524
ANT-OPE-06da2058-1
0.518
EDG-MED-fe7487f8-9
0.460
RAL-THA-05e671eb-1
0.460
RAL-THA-b74298ba-3
0.460
RAL-THA-b74298ba-1
0.453
EDG-MED-a20b5824-1
0.443
ANT-OPE-3d7cb11b-2
0.442
EDG-MED-fe7487f8-3
0.433
RAL-THA-6ca1b233-2
0.433
JAG-UCB-c61058a9-34
0.432
ROB-UNI-afd54964-1
0.430
RAL-THA-b74298ba-2
0.429
JAG-UCB-c61058a9-16
0.429
ANT-OPE-3d7cb11b-3
0.429
EDG-MED-4b32601a-2
0.429
EDG-MED-fe7487f8-1
0.429
JAG-UCB-119787ef-1
0.427
MAT-POS-968e8d9c-1
0.427
RAL-THA-6ca1b233-3
0.427
JAG-UCB-c61058a9-17
0.427
JAG-UCB-c61058a9-21
0.427
JAG-UCB-a3ef7265-20
0.427
BRU-THA-a358fbdd-3
0.427
RAL-THA-04c5403f-2
0.426
MAT-UCB-70f7c0f7-6
0.426
TAT-ENA-80bfd3e5-3
0.421
ERI-UCB-9c7ec71b-4
0.418
EDG-MED-fe7487f8-8
0.418
RAL-THA-6ca1b233-1
0.418
JOH-UNI-d0d90dc1-3
0.418
RAL-THA-6ca1b233-4
0.413
JAG-UCB-c61058a9-32
0.406
RAL-THA-b74298ba-4
0.404
ERI-UCB-a38d41be-1
0.404
JAG-UCB-c61058a9-35
0.400
JAG-UCB-c61058a9-37
0.394
ADA-UCB-b1b30a00-7
0.392
ROB-UNI-569bc02e-1
0.392
JAG-UCB-c61058a9-44
0.387
NAU-LAT-8502cac5-5
0.385
BRU-THA-a358fbdd-5
0.385
BRU-THA-a358fbdd-7
0.382
NAU-LAT-8502cac5-11
0.380
MIC-UNK-deda7a44-6
0.379
RAL-THA-f8a0f917-2
0.372
MAK-UNK-3875bbc8-3
0.372
JAG-UCB-52b62a6f-11
0.370
JAG-UCB-c61058a9-2
0.368
NAU-LAT-8502cac5-16
0.366
MIC-UNK-deda7a44-7
0.357
RAL-THA-3d7a794f-2
0.354
RAL-THA-f8a0f917-1
0.351
JAG-UCB-52b62a6f-2
0.350
ROB-UNI-569bc02e-7
0.350
PET-UNK-158bee2a-7
0.348
JOH-UNI-04a01eac-1
0.347
JOH-UNI-1b27fa5e-4
0.347
NAU-LAT-8502cac5-4
0.345
ANT-OPE-7b52af4b-1
0.344
RAL-THA-3d7a794f-4
0.344
PET-UNK-158bee2a-5
0.344
VLA-UNK-0ffe3317-7
0.344
MAR-UCB-9ef021e0-1
0.343
EDJ-MED-97c1bf5c-4
0.343
MAT-POS-a3f7f96a-2
0.340
JOH-UNI-d0d90dc1-1
0.340
EDJ-MED-51d3200d-3
0.333
BEN-DND-c852c98b-3
0.330
RAL-THA-04c5403f-1
0.330
MAT-POS-1f3c8e6f-1
0.330
JAN-GHE-f4ca5a00-22
0.330
NAU-LAT-8502cac5-10
0.330
CHE-UNK-3dacc16b-3
0.327
MAT-POS-500f4700-1
0.327
RAL-THA-3d7a794f-3
0.327
JOH-UNI-1b27fa5e-1
0.324
JOH-UNI-1b27fa5e-2
0.324
DAR-DIA-6a508060-6
0.323
JAN-GHE-f4ca5a00-13
0.323
MAT-POS-b3e365b9-3
0.323
NAU-LAT-8502cac5-15
0.323
MAT-POS-b3e365b9-4
0.323
BRU-CON-c4e3408a-1
0.323
JAG-UCB-c61058a9-41
0.323
NAU-LAT-8502cac5-8
0.323
MAT-POS-162a9720-6
0.321
RAL-THA-05e671eb-6
0.320
BAR-COM-ace1b61b-2
0.320
MAT-POS-51833a24-1
0.320
RAL-THA-05e671eb-13
0.320
RAL-THA-05e671eb-4
0.320
ADA-UCB-dc2b944c-7
0.320