Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1-c1ccccn1 |
MW: | 328.13 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-8
0.725
THO-SYG-cc9e9a11-2
0.654
THO-SYG-cc9e9a11-3
0.598
TRY-UNI-1fd04853-1
0.512
PET-SGC-175e168c-1
0.512
TRY-UNI-714a760b-20
0.506
TRY-UNI-9f475305-1
0.479
TRY-UNI-2eddb1ff-1
0.476
THO-SYG-cc9e9a11-1
0.471
PET-SGC-276eba5a-1
0.469
ASH-SAT-43770c7d-9
0.453
JOH-UNI-abfda500-6
0.451
ANN-UNI-98d2bf15-1
0.451
THO-SYG-cc9e9a11-6
0.449
TRY-UNI-714a760b-5
0.443
BEN-DND-93268d01-4
0.440
GAB-REV-70cc3ca5-19
0.429
THO-SYG-cc9e9a11-7
0.429
EDJ-MED-c9f55a56-1
0.422
DAR-DIA-0cde14eb-14
0.419
DAR-DIA-0cde14eb-78
0.416
TRY-UNI-714a760b-24
0.414
TRY-UNI-9f475305-9
0.413
TRY-UNI-714a760b-6
0.412
JAN-GHE-83b26c96-13
0.412
ALP-POS-95b75b4d-2
0.412
EDJ-MED-e58735b6-2
0.412
ALE-HEI-f28a35b5-3
0.410
ANN-UNI-98d2bf15-2
0.409
JAN-GHE-83b26c96-14
0.409
ALP-POS-95b75b4d-3
0.409
DAR-DIA-0cde14eb-76
0.409
JAN-GHE-83b26c96-11
0.407
JAN-GHE-83b26c96-12
0.407
ALP-POS-95b75b4d-1
0.407
TRY-UNI-1fd04853-2
0.407
DAR-DIA-0cde14eb-2
0.407
ADA-UCB-6c2cb422-4
0.404
EDG-MED-0da5ad92-7
0.404
EDJ-MED-e58735b6-3
0.400
MAT-POS-590ac91e-15
0.400
TRY-UNI-2eddb1ff-2
0.400
DAR-DIA-0cde14eb-79
0.400
EDG-MED-0da5ad92-8
0.400
EDJ-MED-e58735b6-1
0.398
RAL-THA-901e9a10-3
0.396
TRY-UNI-2eddb1ff-6
0.396
SAM-UNK-2684b532-9
0.396
ALP-POS-95b75b4d-4
0.396
DAR-DIA-0cde14eb-1
0.396
GAB-REV-70cc3ca5-20
0.395
MAK-UNK-6ca90168-26
0.395
DAR-DIA-0cde14eb-74
0.394
MIH-UNI-6b9ca91a-1
0.393
GAB-REV-70cc3ca5-9
0.391
NAU-LAT-30527ac5-2
0.389
RAL-THA-6b94ceba-9
0.389
MAT-POS-044491d2-7
0.388
DAR-DIA-0cde14eb-4
0.387
DAR-DIA-0cde14eb-3
0.387
SAD-SAT-cefd50cc-10
0.387
CHR-SOS-363cfb78-2
0.386
MAT-POS-590ac91e-6
0.386
PET-SGC-6e7c5dc0-1
0.386
RAL-THA-6b94ceba-6
0.385
NAU-LAT-0543f7f2-8
0.384
GAB-REV-70cc3ca5-11
0.383
GAB-REV-70cc3ca5-18
0.383
ALE-HEI-f28a35b5-12
0.383
MAT-POS-590ac91e-11
0.383
BEN-DND-93268d01-7
0.382
MAT-POS-590ac91e-7
0.381
ANN-UNI-98d2bf15-5
0.380
TRY-UNI-714a760b-22
0.380
DAR-DIA-0cde14eb-64
0.380
GAB-REV-70cc3ca5-7
0.379
RAL-THA-6b94ceba-8
0.379
EDJ-MED-e58735b6-4
0.379
ENA-ENA-cf881d10-1
0.378
RAL-THA-6b94ceba-13
0.376
RAL-THA-6b94ceba-7
0.376
WIL-MOD-03b86a88-2
0.375
DAR-DIA-0cde14eb-29
0.375
VLA-UCB-00f2c2b3-1
0.372
GAB-REV-70cc3ca5-23
0.372
RAL-THA-6b94ceba-5
0.372
DAR-DIA-0cde14eb-77
0.372
MAT-POS-590ac91e-24
0.372
SAD-SAT-7d5528d9-1
0.371
MAT-POS-e501d84c-1
0.371
GAB-REV-70cc3ca5-13
0.371
MAT-POS-f42f3716-6
0.370
MAT-POS-c9973a83-1
0.370
GAB-REV-70cc3ca5-15
0.368
RAL-THA-6b94ceba-12
0.368
RAL-THA-6b94ceba-16
0.368
PET-SGC-2e937068-1
0.366
DAR-DIA-0cde14eb-61
0.366
MAT-POS-f42f3716-3
0.365
MAT-POS-590ac91e-9
0.365