Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C#N)CC1CC1 |
MW: | 229.12 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1688544932 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-5
0.623
ASH-SAT-43770c7d-9
0.533
TRY-UNI-714a760b-16
0.500
ERI-UCB-5b47150d-1
0.484
MAT-POS-590ac91e-1
0.484
MAT-POS-590ac91e-2
0.484
MAT-POS-590ac91e-7
0.478
TRY-UNI-714a760b-11
0.478
ALE-HEI-f28a35b5-7
0.478
MAK-UNK-6ca90168-27
0.467
MAT-POS-590ac91e-13
0.462
MAK-UNK-6435e6c2-8
0.456
AAR-POS-d2a4d1df-3
0.456
MAT-POS-5d20d11c-1
0.455
MAT-POS-590ac91e-16
0.455
NAU-LAT-3f5f3993-2
0.451
ABI-SAT-4d06482b-1
0.449
TRY-UNI-714a760b-10
0.449
EDG-MED-0da5ad92-4
0.449
ALE-HEI-f28a35b5-6
0.449
MAT-POS-590ac91e-27
0.444
BEN-DND-93268d01-3
0.443
MAT-POS-590ac91e-26
0.443
ALE-HEI-f28a35b5-12
0.439
MAT-POS-590ac91e-15
0.437
BEN-DND-6de5dfa0-10
0.437
MAK-UNK-6ca90168-26
0.435
ERI-UCB-5b47150d-6
0.435
AHN-SAT-202241f6-1
0.435
TRY-UNI-714a760b-17
0.435
BEN-DND-93268d01-14
0.431
TRY-UNI-714a760b-22
0.429
MAT-POS-590ac91e-23
0.429
ERI-UCB-5b47150d-4
0.424
MAT-POS-590ac91e-10
0.423
MAT-POS-590ac91e-24
0.423
MAT-POS-590ac91e-18
0.420
MAT-POS-590ac91e-19
0.420
EDG-MED-0da5ad92-9
0.419
BEN-DND-93268d01-2
0.419
MAT-POS-590ac91e-11
0.418
ALE-HEI-f28a35b5-13
0.418
MAT-POS-590ac91e-21
0.417
DAR-DIA-0cde14eb-75
0.415
EDJ-MED-3c65e9ce-4
0.411
SAM-UNK-2684b532-10
0.410
DAR-DIA-0cde14eb-15
0.410
DAR-DIA-6a508060-12
0.408
MAT-POS-590ac91e-22
0.408
BEN-DND-93268d01-11
0.408
EDG-MED-0da5ad92-5
0.408
JAN-GHE-83b26c96-9
0.408
TRY-UNI-2eddb1ff-3
0.405
MAT-POS-590ac91e-4
0.403
ALE-HEI-f28a35b5-10
0.403
JAN-GHE-83b26c96-8
0.400
CHR-SOS-363cfb78-2
0.400
PET-SGC-6e7c5dc0-1
0.400
DAN-RED-da448e80-5
0.400
MAT-POS-590ac91e-6
0.400
DAN-RED-da448e80-9
0.400
MIH-UNI-6b9ca91a-2
0.398
BEN-DND-93268d01-8
0.397
MAT-POS-590ac91e-8
0.397
ALE-HEI-f28a35b5-11
0.397
EDJ-MED-3c65e9ce-1
0.397
GAB-REV-70cc3ca5-19
0.395
JAN-GHE-83b26c96-5
0.395
TRY-UNI-714a760b-18
0.395
MAT-POS-590ac91e-25
0.395
TRY-UNI-714a760b-24
0.395
JAN-GHE-83b26c96-4
0.395
TRY-UNI-2eddb1ff-5
0.395
TRY-UNI-2eddb1ff-4
0.395
MAT-POS-590ac91e-9
0.394
DRE-WAB-eb790b7a-1
0.392
ALP-POS-95b75b4d-4
0.392
PED-UNI-8d53fd73-1
0.392
PED-UNI-5b7f1100-1
0.392
DAN-RED-da448e80-1
0.392
TRY-UNI-714a760b-4
0.391
ALE-HEI-f28a35b5-1
0.391
NAU-LAT-3f5f3993-1
0.390
SIM-DEM-4fb93ec7-1
0.390
CHR-SOS-363cfb78-7
0.390
DAN-RED-da448e80-13
0.390
TRY-UNI-2eddb1ff-1
0.390
MAT-POS-590ac91e-12
0.389
BEN-DND-93268d01-9
0.389
BEN-DND-09b88bf4-5
0.389
DAR-DIA-0cde14eb-70
0.388
DAR-DIA-0cde14eb-69
0.388
BAR-COM-0f94fc3d-58
0.388
TRY-UNI-1fd04853-2
0.388
DAN-RED-da448e80-17
0.388
BEN-DND-93268d01-4
0.387
TRY-UNI-714a760b-5
0.386
JAN-GHE-83b26c96-11
0.386
SCO-VAN-260d9628-1
0.386
ALE-HEI-f28a35b5-17
0.386