Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N1CCN(C)CC1 |
MW: | 234.303 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 48.47 |
cLogP: | 1.16932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1531408828 |
Enamine Extended REAL: | s_2430____7867050____740802 |
ALE-HEI-f28a35b5-17
1.000
MAK-UNK-7264f48c-5
0.597
BEN-DND-09b88bf4-5
0.550
BEN-DND-93268d01-9
0.550
MAK-UNK-6435e6c2-8
0.520
AAR-POS-d2a4d1df-3
0.520
ALE-HEI-f28a35b5-16
0.508
MAK-UNK-6ca90168-26
0.491
BEN-DND-6de5dfa0-10
0.484
EDJ-MED-3c65e9ce-1
0.484
BEN-DND-93268d01-8
0.484
ANU-UNK-2781581f-1
0.479
RED-SAT-26a928c9-1
0.479
MAK-UNK-6ca90168-27
0.473
BEN-DND-22e6b372-2
0.464
BEN-DND-6de5dfa0-1
0.456
NIR-THE-b7e8e081-1
0.456
BEN-DND-03406596-7
0.456
BEN-DND-09b88bf4-2
0.456
NAU-LAT-3f5f3993-2
0.455
BEN-DND-93268d01-11
0.453
ERI-UCB-5b47150d-4
0.450
BEN-DND-6de5dfa0-7
0.449
BEN-DND-6de5dfa0-16
0.449
SID-ELM-1f105489-9
0.449
NIR-THE-b7e8e081-2
0.449
BEN-DND-09b88bf4-6
0.449
SID-ELM-1f105489-11
0.448
BEN-DND-93268d01-10
0.446
ALE-HEI-f28a35b5-12
0.443
MAT-POS-590ac91e-11
0.443
BEN-DND-6de5dfa0-5
0.441
ASH-SAT-43770c7d-9
0.441
ERI-UCB-5b47150d-1
0.441
MAT-POS-590ac91e-1
0.441
MAT-POS-590ac91e-2
0.441
BEN-DND-09b88bf4-8
0.437
BEN-DND-6de5dfa0-6
0.437
SID-ELM-1f105489-10
0.435
EDJ-MED-3c65e9ce-4
0.433
MAK-UNK-902cc841-15
0.432
AAR-POS-0daf6b7e-44
0.431
MAT-POS-590ac91e-12
0.431
BEN-DND-22e6b372-1
0.431
MAK-UNK-902cc841-17
0.427
SIM-DEM-4fb93ec7-1
0.427
BEN-DND-22e6b372-4
0.426
MAT-POS-590ac91e-4
0.424
MAT-POS-590ac91e-6
0.422
MAT-POS-590ac91e-19
0.422
MAT-POS-590ac91e-18
0.422
BEN-DND-6de5dfa0-3
0.420
NAU-LAT-3f5f3993-5
0.420
MAT-POS-590ac91e-29
0.420
BEN-DND-09b88bf4-3
0.420
ALE-HEI-f28a35b5-13
0.419
MAT-POS-590ac91e-13
0.419
MAT-POS-590ac91e-21
0.418
MAT-POS-590ac91e-8
0.418
SIM-DEM-2d7ee9fd-1
0.416
TRY-UNI-714a760b-11
0.415
MAT-POS-590ac91e-9
0.415
ALE-HEI-f28a35b5-7
0.415
MAT-POS-590ac91e-7
0.415
ERI-UCB-5b47150d-6
0.415
MAT-POS-590ac91e-5
0.415
BEN-DND-6de5dfa0-4
0.414
BEN-DND-22e6b372-3
0.414
BEN-DND-09b88bf4-4
0.414
BEN-DND-6de5dfa0-2
0.413
BEN-DND-09b88bf4-1
0.413
TRY-UNI-714a760b-4
0.413
MAT-POS-590ac91e-16
0.413
MAT-POS-5d20d11c-1
0.413
ALE-HEI-f28a35b5-1
0.413
MAK-UNK-7264f48c-4
0.410
ALE-HEI-f28a35b5-6
0.409
TRY-UNI-714a760b-10
0.409
MAT-POS-590ac91e-23
0.409
MIH-UNI-6b9ca91a-1
0.409
EDG-MED-0da5ad92-4
0.409
DAR-DIA-6a508060-12
0.409
MAT-POS-590ac91e-22
0.409
TRY-UNI-714a760b-5
0.406
JAN-GHE-83b26c96-11
0.406
MAT-POS-590ac91e-27
0.406
EDJ-MED-c9f55a56-1
0.403
MAT-POS-590ac91e-24
0.403
MAT-POS-590ac91e-10
0.403
MAT-POS-590ac91e-26
0.403
BEN-DND-6de5dfa0-14
0.403
PET-SGC-6e7c5dc0-1
0.400
MAK-UNK-7264f48c-3
0.400
SID-ELM-1f105489-12
0.397
BEN-DND-6de5dfa0-15
0.397
MAT-POS-590ac91e-15
0.397
TRY-UNI-714a760b-16
0.397
MAT-POS-590ac91e-3
0.397
AHN-SAT-202241f6-1
0.394
TRY-UNI-714a760b-17
0.394