Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CN(C)c1cccc(C#N)c1 |
MW: | 280.331 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.02 |
cLogP: | 2.3366 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-1
0.613
TRY-UNI-714a760b-20
0.560
GAB-REV-70cc3ca5-7
0.537
TRY-UNI-714a760b-24
0.494
TRY-UNI-2eddb1ff-1
0.487
ASH-SAT-43770c7d-9
0.485
TRY-UNI-714a760b-22
0.469
MAK-UNK-6ca90168-26
0.463
GAB-REV-70cc3ca5-10
0.448
MAT-POS-590ac91e-15
0.442
TRY-UNI-1fd04853-1
0.435
PET-SGC-175e168c-1
0.435
ALP-POS-f13221e1-4
0.432
TRY-UNI-2eddb1ff-6
0.430
RAL-THA-901e9a10-3
0.430
THO-SYG-cc9e9a11-4
0.429
TRY-UNI-9f475305-1
0.426
CHR-SOS-363cfb78-2
0.425
MAT-POS-590ac91e-11
0.425
ALE-HEI-f28a35b5-12
0.425
THO-SYG-cc9e9a11-3
0.424
BEN-DND-6de5dfa0-15
0.422
EDJ-MED-e58735b6-1
0.420
TRY-UNI-714a760b-6
0.418
JAN-GHE-83b26c96-13
0.418
ALP-POS-95b75b4d-2
0.418
EDJ-MED-e58735b6-2
0.418
ANN-UNI-98d2bf15-5
0.417
MAT-POS-590ac91e-23
0.416
GAB-REV-70cc3ca5-16
0.415
TRY-UNI-714a760b-5
0.413
JAN-GHE-83b26c96-12
0.412
ALP-POS-95b75b4d-1
0.412
EDG-MED-0da5ad92-3
0.412
BEN-DND-93268d01-6
0.410
BEN-DND-22e6b372-2
0.410
DAR-DIA-0cde14eb-14
0.409
PET-SGC-6e7c5dc0-1
0.408
GAB-REV-70cc3ca5-8
0.407
MAK-UNK-6ca90168-27
0.406
ANN-UNI-98d2bf15-1
0.405
JOH-UNI-abfda500-6
0.405
MAT-POS-590ac91e-7
0.403
MAT-POS-590ac91e-9
0.403
TRY-UNI-9f475305-2
0.402
EDJ-MED-3c65e9ce-4
0.400
ALP-POS-95b75b4d-4
0.400
WIL-MOD-03b86a88-6
0.398
ANN-UNI-98d2bf15-2
0.398
JAN-GHE-83b26c96-14
0.398
ALP-POS-95b75b4d-3
0.398
DAR-DIA-0cde14eb-76
0.398
GAB-REV-70cc3ca5-21
0.397
ALE-HEI-f28a35b5-3
0.397
BEN-DND-09b88bf4-5
0.397
TRY-UNI-714a760b-10
0.397
ALE-HEI-f28a35b5-6
0.397
BEN-DND-93268d01-11
0.397
EDG-MED-0da5ad92-4
0.397
BEN-DND-93268d01-9
0.397
DAR-DIA-0cde14eb-2
0.395
TRY-UNI-1fd04853-2
0.395
EDG-MED-0da5ad92-19
0.395
MAT-POS-590ac91e-14
0.395
BEN-DND-22e6b372-4
0.395
JAN-GHE-83b26c96-11
0.395
MAK-UNK-6435e6c2-8
0.394
AAR-POS-d2a4d1df-3
0.394
MAT-POS-590ac91e-10
0.392
MAT-POS-590ac91e-24
0.392
EDJ-MED-c9f55a56-1
0.392
ALE-HEI-f28a35b5-10
0.392
BEN-DND-93268d01-10
0.392
MAT-POS-044491d2-7
0.391
DAR-DIA-0cde14eb-77
0.391
SAD-SAT-cefd50cc-10
0.391
SAD-SAT-24589cd1-3
0.391
EDG-MED-0da5ad92-9
0.390
BEN-DND-09b88bf4-3
0.390
NAU-LAT-3f5f3993-5
0.390
BEN-DND-6de5dfa0-3
0.390
MAT-POS-590ac91e-6
0.390
BEN-DND-6de5dfa0-6
0.388
DAR-DIA-0cde14eb-78
0.388
RAL-THA-6b94ceba-6
0.388
EDJ-MED-e58735b6-3
0.388
DAR-DIA-0cde14eb-79
0.388
PET-SGC-276eba5a-1
0.388
TRY-UNI-2eddb1ff-2
0.388
EDG-MED-0da5ad92-8
0.388
EDJ-MED-3c65e9ce-1
0.388
BEN-DND-93268d01-8
0.388
WIL-MOD-03b86a88-5
0.386
NIR-THE-b7e8e081-1
0.386
BEN-DND-09b88bf4-4
0.386
BEN-DND-6de5dfa0-4
0.386
BEN-DND-22e6b372-3
0.386
RAL-THA-901e9a10-7
0.385
BRU-LEF-c49414a7-1
0.385
ERI-UCB-5b47150d-6
0.385