Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1Cc1ccccn1 |
MW: | 342.15 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.67 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-7
0.741
THO-SYG-cc9e9a11-1
0.675
THO-SYG-cc9e9a11-4
0.598
TRY-UNI-9f475305-1
0.538
PET-SGC-276eba5a-1
0.526
BEN-DND-93268d01-4
0.506
PET-SGC-175e168c-1
0.506
TRY-UNI-1fd04853-1
0.506
TRY-UNI-714a760b-20
0.500
THO-SYG-cc9e9a11-2
0.477
TRY-UNI-2eddb1ff-1
0.471
THO-SYG-cc9e9a11-5
0.466
ANN-UNI-98d2bf15-1
0.463
JOH-UNI-abfda500-6
0.463
TRY-UNI-714a760b-5
0.438
EDG-MED-0da5ad92-7
0.430
ASH-SAT-43770c7d-9
0.429
GAB-REV-70cc3ca5-19
0.424
JAN-GHE-83b26c96-11
0.420
ALP-POS-95b75b4d-1
0.419
THO-SYG-cc9e9a11-8
0.418
MAT-POS-590ac91e-11
0.412
TRY-UNI-2eddb1ff-2
0.412
EDG-MED-0da5ad92-8
0.412
DAR-DIA-0cde14eb-79
0.411
EDJ-MED-e58735b6-3
0.411
BEN-DND-93268d01-7
0.409
TRY-UNI-714a760b-24
0.409
TRY-UNI-9f475305-9
0.409
RAL-THA-6b94ceba-16
0.409
JAN-GHE-83b26c96-13
0.407
ALP-POS-95b75b4d-2
0.407
TRY-UNI-714a760b-6
0.407
EDJ-MED-e58735b6-2
0.407
ANN-UNI-98d2bf15-5
0.407
ALE-HEI-f28a35b5-3
0.405
DAR-DIA-0cde14eb-76
0.404
JAN-GHE-83b26c96-14
0.404
ALP-POS-95b75b4d-3
0.404
ANN-UNI-98d2bf15-2
0.404
JAN-GHE-83b26c96-12
0.402
DAR-DIA-0cde14eb-2
0.402
TRY-UNI-1fd04853-2
0.402
DAR-DIA-0cde14eb-14
0.400
EDJ-MED-c9f55a56-1
0.400
DAR-DIA-0cde14eb-78
0.396
MAT-POS-590ac91e-15
0.395
EDJ-MED-e58735b6-1
0.393
MAT-POS-590ac91e-7
0.393
TRY-UNI-2eddb1ff-6
0.392
RAL-THA-901e9a10-3
0.392
SAM-UNK-2684b532-9
0.392
ALP-POS-95b75b4d-4
0.391
TRY-UNI-714a760b-22
0.391
MAK-UNK-6ca90168-26
0.390
MIH-UNI-6b9ca91a-1
0.388
RAL-THA-6b94ceba-7
0.387
GAB-REV-70cc3ca5-9
0.387
ADA-UCB-6c2cb422-4
0.385
NAU-LAT-30527ac5-2
0.385
DAR-DIA-0cde14eb-77
0.383
SAD-SAT-cefd50cc-10
0.383
MAT-POS-590ac91e-6
0.381
NAU-LAT-0543f7f2-8
0.380
GAB-REV-70cc3ca5-11
0.379
ALE-HEI-f28a35b5-12
0.378
DAR-DIA-0cde14eb-1
0.376
PET-SGC-2e937068-1
0.376
RAL-THA-6b94ceba-8
0.375
GAB-REV-70cc3ca5-20
0.375
DAR-DIA-0cde14eb-74
0.375
EDJ-MED-e58735b6-4
0.375
GAB-REV-70cc3ca5-7
0.375
CHO-MSK-6e55470f-13
0.374
PET-SGC-1c3a473d-1
0.371
RAL-THA-6b94ceba-9
0.371
WIL-MOD-03b86a88-2
0.371
MAT-POS-044491d2-7
0.370
BEN-DND-93268d01-6
0.370
DAR-DIA-0cde14eb-3
0.368
DAR-DIA-0cde14eb-4
0.368
RAL-THA-6b94ceba-5
0.368
MAT-POS-590ac91e-24
0.368
SAD-SAT-7d5528d9-1
0.367
CHR-SOS-363cfb78-2
0.367
MAT-POS-044491d2-3
0.366
MAT-POS-c9973a83-1
0.366
RAL-THA-6b94ceba-6
0.366
PET-SGC-6e7c5dc0-1
0.365
RAL-THA-6b94ceba-12
0.365
RAL-THA-6b94ceba-14
0.365
GAB-REV-70cc3ca5-18
0.365
DAR-DIA-0cde14eb-64
0.362
NAU-LAT-0543f7f2-7
0.361
CHO-MSK-6e55470f-23
0.360
BEN-DND-93268d01-13
0.360
BEN-DND-93268d01-5
0.360
MAK-UNK-f203cb68-4
0.359
ALP-POS-f13221e1-4
0.359
RIT-AID-a492ba81-1
0.358