Molecular Properties | |
SMILES: | CC(=O)N1CCCN(CC(=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: | ✗ |
EDJ-MED-3c65e9ce-1
0.814
BEN-DND-93268d01-8
0.814
BEN-DND-03406596-7
0.682
BEN-DND-09b88bf4-2
0.682
BEN-DND-6de5dfa0-1
0.682
NIR-THE-b7e8e081-1
0.682
BEN-DND-93268d01-11
0.667
BEN-DND-93268d01-9
0.667
BEN-DND-09b88bf4-5
0.667
BEN-DND-09b88bf4-6
0.647
BEN-DND-6de5dfa0-16
0.647
BEN-DND-6de5dfa0-7
0.647
NIR-THE-b7e8e081-2
0.647
BEN-DND-09b88bf4-8
0.629
BEN-DND-93268d01-10
0.606
BEN-DND-09b88bf4-1
0.595
BEN-DND-6de5dfa0-2
0.595
BEN-DND-6de5dfa0-3
0.594
NAU-LAT-3f5f3993-5
0.594
BEN-DND-09b88bf4-3
0.594
EDJ-MED-3c65e9ce-4
0.588
RED-SAT-26a928c9-1
0.579
ANU-UNK-2781581f-1
0.579
BEN-DND-6de5dfa0-14
0.569
BEN-DND-6de5dfa0-15
0.562
BEN-DND-22e6b372-1
0.554
BEN-DND-09b88bf4-7
0.550
BEN-DND-6de5dfa0-5
0.549
BEN-DND-6de5dfa0-19
0.543
EDJ-MED-3c65e9ce-2
0.527
BEN-DND-6de5dfa0-21
0.521
BEN-DND-6de5dfa0-4
0.521
BEN-DND-6de5dfa0-20
0.521
BEN-DND-09b88bf4-4
0.521
MAK-UNK-6ca90168-26
0.516
BEN-DND-22e6b372-4
0.514
BEN-DND-6de5dfa0-23
0.507
BEN-DND-6de5dfa0-9
0.500
BEN-DND-22e6b372-3
0.500
BEN-DND-6de5dfa0-8
0.494
EDJ-MED-3c65e9ce-3
0.487
BEN-DND-6de5dfa0-24
0.472
MAT-POS-590ac91e-6
0.471
ASH-SAT-43770c7d-9
0.470
BEN-DND-22e6b372-2
0.468
BEN-DND-6de5dfa0-10
0.466
JAN-GHE-83b26c96-11
0.457
BEN-DND-6de5dfa0-22
0.452
ALE-HEI-f28a35b5-12
0.449
MAT-POS-590ac91e-15
0.446
AAR-POS-d2a4d1df-3
0.443
MAK-UNK-6435e6c2-8
0.443
BEN-DND-93268d01-12
0.440
BEN-DND-6de5dfa0-13
0.440
NAU-LAT-3f5f3993-2
0.440
MAK-UNK-902cc841-15
0.439
EDG-MED-0da5ad92-4
0.438
TRY-UNI-714a760b-10
0.438
ALE-HEI-f28a35b5-6
0.438
ALE-HEI-f28a35b5-17
0.437
SCO-VAN-260d9628-1
0.437
EDJ-MED-c9f55a56-1
0.432
VLA-UCB-05e51b3f-1
0.430
NAU-LAT-a5c7d7cb-1
0.430
BEN-DND-6de5dfa0-11
0.430
NIR-THE-d08c3b48-1
0.430
ALP-POS-6747fa38-1
0.430
PET-SGC-fedd1f79-1
0.430
MAT-POS-590ac91e-11
0.429
BAR-COM-0f94fc3d-41
0.427
BEN-DND-6de5dfa0-18
0.427
JOH-UNI-abfda500-6
0.427
ANN-UNI-98d2bf15-1
0.427
MAT-POS-590ac91e-7
0.425
MAT-POS-590ac91e-9
0.425
BAR-COM-0f94fc3d-18
0.422
MAT-POS-590ac91e-23
0.419
GAB-REV-70cc3ca5-21
0.419
TRY-UNI-714a760b-5
0.417
MAK-UNK-902cc841-17
0.417
BEN-DND-6de5dfa0-17
0.416
BEN-DND-6de5dfa0-27
0.416
MAT-POS-590ac91e-10
0.413
MAT-POS-590ac91e-24
0.413
BEN-DND-6de5dfa0-26
0.413
PET-SGC-6e7c5dc0-1
0.411
EDG-MED-0da5ad92-9
0.410
MAK-UNK-7264f48c-3
0.409
MAT-POS-590ac91e-17
0.408
MAT-POS-590ac91e-5
0.405
MAT-POS-590ac91e-25
0.405
ALP-POS-95b75b4d-2
0.403
DAR-DIA-0cde14eb-64
0.402
SAM-UNK-2684b532-9
0.402
NAU-LAT-3f5f3993-10
0.402
MIH-UNI-6b9ca91a-1
0.400
TRY-UNI-2eddb1ff-1
0.400
NAU-LAT-3f5f3993-1
0.400
ALE-HEI-f28a35b5-3
0.400
SIM-DEM-163f01e0-1
0.398