Molecular Properties | |
SMILES: | CC(=O)N1CCN2[C@H](C(=O)Nc3cnccc3C)COC[C@H]2C1 |
MW: | 318.17 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 74.77 |
cLogP: | 0.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-3f5f3993-2
0.432
SIM-DEM-4fb93ec7-1
0.427
EDJ-MED-3c65e9ce-1
0.420
BEN-DND-93268d01-8
0.420
BEN-DND-6de5dfa0-10
0.420
MAT-POS-590ac91e-28
0.405
BEN-DND-22e6b372-1
0.398
MAT-POS-590ac91e-12
0.395
SCO-VAN-260d9628-1
0.392
ALE-HEI-f28a35b5-17
0.392
MAK-UNK-6435e6c2-8
0.391
AAR-POS-d2a4d1df-3
0.391
MAT-POS-590ac91e-26
0.390
ERI-UCB-5b47150d-4
0.390
MAT-POS-590ac91e-19
0.388
MAT-POS-590ac91e-18
0.388
BEN-DND-6de5dfa0-6
0.386
MAT-POS-590ac91e-8
0.386
ALE-HEI-f28a35b5-13
0.385
MAK-UNK-6ca90168-27
0.384
NAU-LAT-3f5f3993-10
0.383
ERI-UCB-5b47150d-6
0.383
MAK-UNK-902cc841-17
0.380
DAR-DIA-6a508060-12
0.378
MAT-POS-590ac91e-22
0.378
BEN-DND-93268d01-10
0.373
MAT-POS-590ac91e-4
0.373
MAK-UNK-902cc841-15
0.370
MAT-POS-590ac91e-3
0.369
MAT-POS-590ac91e-21
0.369
NIR-THE-b7e8e081-1
0.368
MAT-POS-590ac91e-5
0.366
TRY-UNI-714a760b-11
0.366
ALE-HEI-f28a35b5-7
0.366
NAU-LAT-3f5f3993-1
0.366
BEN-DND-09b88bf4-6
0.364
BEN-DND-6de5dfa0-7
0.364
ERI-UCB-5b47150d-1
0.364
MAT-POS-590ac91e-2
0.364
MAT-POS-590ac91e-1
0.364
MAK-UNK-6ca90168-26
0.360
MAT-POS-590ac91e-10
0.357
MAT-POS-590ac91e-29
0.356
BEN-DND-09b88bf4-8
0.356
BEN-DND-6de5dfa0-15
0.356
MAK-UNK-372b0df5-1
0.355
BEN-DND-09b88bf4-2
0.352
BEN-DND-6de5dfa0-1
0.352
BEN-DND-03406596-7
0.352
MAK-UNK-7264f48c-5
0.351
VLA-UCB-05e51b3f-2
0.351
NAU-LAT-a5c7d7cb-3
0.351
MAT-POS-590ac91e-13
0.350
MAT-POS-590ac91e-9
0.349
EDJ-MED-3c65e9ce-4
0.349
BEN-DND-6de5dfa0-16
0.348
NIR-THE-b7e8e081-2
0.348
WIL-MOD-03b86a88-2
0.347
SAM-UNK-2684b532-8
0.347
WIL-MOD-03b86a88-4
0.347
ASH-SAT-43770c7d-9
0.346
ALE-HEI-f28a35b5-1
0.346
MAT-POS-5d20d11c-1
0.346
TRY-UNI-714a760b-4
0.346
MAT-POS-590ac91e-16
0.346
BEN-DND-09b88bf4-5
0.345
BEN-DND-93268d01-11
0.345
BEN-DND-93268d01-9
0.345
MAT-POS-590ac91e-14
0.345
MAT-POS-590ac91e-27
0.345
BEN-DND-6de5dfa0-14
0.344
DAR-DIA-0cde14eb-66
0.341
BEN-DND-6de5dfa0-2
0.340
ADA-UCB-6c2cb422-2
0.340
BEN-DND-09b88bf4-1
0.340
MAK-UNK-7264f48c-4
0.340
MAT-POS-b3e365b9-3
0.340
MAT-POS-b3e365b9-4
0.340
DAR-DIA-6a508060-6
0.340
JAN-GHE-f4ca5a00-13
0.340
BRU-CON-c4e3408a-1
0.340
MAT-POS-590ac91e-6
0.337
TRY-UNI-714a760b-16
0.337
ALE-HEI-f28a35b5-11
0.337
BEN-DND-6de5dfa0-4
0.337
BEN-DND-09b88bf4-4
0.337
BEN-DND-22e6b372-3
0.337
DAR-DIA-0cde14eb-8
0.337
CHR-SOS-363cfb78-7
0.337
DAR-DIA-0cde14eb-74
0.337
MIC-UNK-ea979c74-2
0.337
MAT-POS-590ac91e-7
0.333
ALE-HEI-f28a35b5-2
0.333
SAD-SAT-7d5528d9-7
0.333
ALE-HEI-f28a35b5-12
0.333
JAN-GHE-83b26c96-9
0.333
TRY-UNI-714a760b-17
0.333
AHN-SAT-202241f6-1
0.333
CHR-SOS-1f323c23-10
0.333
DAR-DIA-0cde14eb-62
0.333