Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C)C(=O)Nc2cnccc2C)CC1 |
MW: | 290.17 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-902cc841-15
0.586
MAK-UNK-902cc841-17
0.577
NAU-LAT-3f5f3993-10
0.554
NAU-LAT-3f5f3993-2
0.554
MAT-POS-590ac91e-13
0.550
NAU-LAT-a5c7d7cb-3
0.547
VLA-UCB-05e51b3f-2
0.547
EDJ-MED-3c65e9ce-1
0.538
BEN-DND-93268d01-8
0.538
MAT-POS-590ac91e-1
0.525
ERI-UCB-5b47150d-1
0.525
MAT-POS-590ac91e-2
0.525
AAR-POS-d2a4d1df-3
0.500
MAK-UNK-6435e6c2-8
0.500
MAT-POS-590ac91e-5
0.492
MAT-POS-5d20d11c-1
0.492
MAT-POS-590ac91e-16
0.492
SCO-VAN-260d9628-1
0.484
ALE-HEI-f28a35b5-17
0.484
TRY-UNI-714a760b-16
0.471
ALE-HEI-f28a35b5-7
0.470
TRY-UNI-714a760b-11
0.470
TRY-UNI-714a760b-17
0.470
AHN-SAT-202241f6-1
0.470
BEN-DND-6de5dfa0-6
0.466
BEN-DND-22e6b372-1
0.459
MAK-UNK-6ca90168-26
0.450
BEN-DND-93268d01-14
0.443
ABI-SAT-4d06482b-1
0.441
ERI-UCB-5b47150d-4
0.438
TRY-UNI-2eddb1ff-3
0.437
MAT-POS-590ac91e-14
0.437
BEN-DND-93268d01-3
0.435
DAR-DIA-0cde14eb-70
0.434
MAK-UNK-6ca90168-27
0.433
BEN-DND-6de5dfa0-14
0.432
MAT-POS-590ac91e-11
0.431
DAR-DIA-0cde14eb-72
0.429
SAM-UNK-2684b532-1
0.429
ASH-SAT-43770c7d-9
0.429
DAR-DIA-0cde14eb-73
0.429
DAR-DIA-0cde14eb-75
0.425
MIH-UNI-6b9ca91a-2
0.425
BEN-DND-03406596-7
0.425
NIR-THE-b7e8e081-1
0.425
BEN-DND-6de5dfa0-1
0.425
TRY-UNI-2eddb1ff-5
0.425
JAN-GHE-83b26c96-4
0.425
JAN-GHE-83b26c96-5
0.425
TRY-UNI-2eddb1ff-4
0.425
BEN-DND-09b88bf4-2
0.425
TRY-UNI-714a760b-18
0.425
DAR-DIA-0cde14eb-71
0.423
BEN-DND-93268d01-9
0.420
BEN-DND-93268d01-11
0.420
BEN-DND-09b88bf4-5
0.420
BEN-DND-6de5dfa0-12
0.420
JAN-GHE-83b26c96-9
0.419
BEN-DND-09b88bf4-6
0.419
BEN-DND-6de5dfa0-16
0.419
NIR-THE-b7e8e081-2
0.419
BEN-DND-6de5dfa0-7
0.419
NAU-LAT-3f5f3993-1
0.418
MAT-POS-590ac91e-4
0.414
BEN-DND-93268d01-10
0.414
BAR-COM-0f94fc3d-19
0.413
DAR-DIA-0cde14eb-65
0.413
MAT-POS-590ac91e-6
0.412
BEN-DND-93268d01-2
0.411
MAK-UNK-f203cb68-17
0.410
ALE-HEI-f28a35b5-12
0.409
ALE-HEI-f28a35b5-13
0.409
ALE-HEI-f28a35b5-11
0.408
BEN-DND-09b88bf4-8
0.408
MAT-POS-590ac91e-7
0.406
BEN-DND-22e6b372-3
0.405
DAR-DIA-0cde14eb-10
0.405
MAK-UNK-f203cb68-14
0.405
TRY-UNI-9f475305-4
0.405
ALE-HEI-f28a35b5-1
0.403
TRY-UNI-714a760b-4
0.403
EDJ-MED-3c65e9ce-4
0.403
TRY-UNI-714a760b-22
0.403
SAM-UNK-2684b532-10
0.402
EDG-MED-0da5ad92-5
0.400
MAT-POS-590ac91e-12
0.400
MAK-UNK-7264f48c-5
0.400
DAR-DIA-0cde14eb-11
0.400
DAR-DIA-0cde14eb-12
0.400
DAR-DIA-0cde14eb-13
0.400
BAR-COM-0f94fc3d-58
0.397
DAR-DIA-0cde14eb-69
0.397
DAN-RED-da448e80-17
0.397
MAK-UNK-902cc841-16
0.397
BEN-DND-22e6b372-4
0.397
JAN-GHE-83b26c96-11
0.397
DAR-DIA-0cde14eb-68
0.395
ALE-HEI-f28a35b5-10
0.394
MAK-UNK-f203cb68-16
0.392
BEN-DND-09b88bf4-3
0.392