Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1C(=O)Nc1cnccc1C |
MW: | 281.13 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 90.7 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
TRY-UNI-1fd04853-2
0.608
TRY-UNI-1fd04853-1
0.571
PET-SGC-175e168c-1
0.571
CHR-SOS-363cfb78-2
0.449
TRY-UNI-1fd04853-3
0.438
TRY-UNI-2eddb1ff-1
0.438
ASH-SAT-43770c7d-9
0.429
TRY-UNI-714a760b-24
0.425
TRY-UNI-714a760b-20
0.415
MAK-UNK-f203cb68-17
0.412
MAT-POS-590ac91e-15
0.410
GAB-REV-df64cf17-7
0.409
TRY-UNI-714a760b-22
0.405
AAR-POS-d2a4d1df-3
0.400
MAK-UNK-6435e6c2-8
0.400
JOR-UNI-61e7b1d5-1
0.400
GAB-REV-70cc3ca5-19
0.391
MAK-UNK-129dcd6f-15
0.388
THO-SYG-cc9e9a11-4
0.387
MAK-UNK-129dcd6f-4
0.386
MAK-UNK-6ca90168-26
0.386
THO-SYG-cc9e9a11-3
0.383
MAT-POS-590ac91e-6
0.377
MAK-UNK-f203cb68-15
0.375
MAT-POS-590ac91e-11
0.373
MAT-POS-590ac91e-9
0.372
MAK-UNK-6ca90168-27
0.371
PET-SGC-0f1d26ed-1
0.369
GAB-REV-70cc3ca5-21
0.367
ALE-HEI-f28a35b5-3
0.367
MAT-POS-590ac91e-14
0.366
MAT-POS-590ac91e-26
0.362
MAK-UNK-f203cb68-18
0.361
ERI-UCB-5b47150d-4
0.360
PET-SGC-6e7c5dc0-1
0.359
ALE-HEI-f28a35b5-11
0.358
CHR-SOS-363cfb78-8
0.358
TRY-UNI-9f475305-1
0.357
DAR-DIA-0cde14eb-7
0.356
CHR-SOS-363cfb78-7
0.356
DAR-DIA-0cde14eb-74
0.356
ALE-HEI-f28a35b5-12
0.355
ALE-HEI-f28a35b5-13
0.355
MAT-POS-590ac91e-7
0.354
ERI-UCB-5b47150d-6
0.354
ALE-HEI-f28a35b5-2
0.354
JAN-GHE-83b26c96-13
0.354
MAR-TRE-67513f76-68
0.353
MAK-UNK-129dcd6f-17
0.352
ERI-UCB-5b47150d-1
0.351
MAT-POS-590ac91e-2
0.351
MAT-POS-590ac91e-1
0.351
MAT-POS-590ac91e-16
0.351
TRY-UNI-714a760b-4
0.351
ALE-HEI-f28a35b5-1
0.351
MAT-POS-5d20d11c-1
0.351
MAK-UNK-f203cb68-22
0.351
JOR-UNI-61e7b1d5-8
0.351
PET-SGC-276eba5a-1
0.350
MAT-POS-590ac91e-27
0.349
BEN-DND-22e6b372-2
0.349
MAK-UNK-129dcd6f-9
0.348
MAK-UNK-f203cb68-16
0.348
DAR-DIA-0cde14eb-9
0.348
RAL-THA-901e9a10-3
0.347
TRY-UNI-2eddb1ff-6
0.347
TRY-UNI-714a760b-5
0.346
JAN-GHE-83b26c96-11
0.346
MAT-POS-590ac91e-10
0.346
EDJ-MED-c9f55a56-1
0.346
ALE-HEI-f28a35b5-10
0.346
BEN-DND-93268d01-3
0.346
EDG-MED-0da5ad92-9
0.345
DAR-DIA-0cde14eb-79
0.345
MAK-UNK-129dcd6f-16
0.344
EDG-MED-0da5ad92-8
0.341
MAT-POS-590ac91e-8
0.341
TRY-UNI-2eddb1ff-2
0.341
JAG-UCB-cedd89ab-8
0.341
TRY-UNI-714a760b-12
0.341
MAT-POS-590ac91e-25
0.341
CHR-SOS-6c45c019-12
0.341
PET-SGC-2e937068-1
0.341
MAK-UNK-129dcd6f-12
0.341
CHR-SOS-6c45c019-6
0.341
MAK-UNK-f203cb68-21
0.340
CHR-SOS-363cfb78-6
0.340
MAT-POS-590ac91e-13
0.338
AHN-SAT-202241f6-1
0.338
MAT-POS-590ac91e-5
0.338
TRY-UNI-714a760b-11
0.338
TRY-UNI-714a760b-17
0.338
ALE-HEI-f28a35b5-7
0.338
TRY-UNI-714a760b-6
0.337
ALP-POS-95b75b4d-2
0.337
GAB-REV-70cc3ca5-20
0.337
BEN-DND-93268d01-13
0.337
EDJ-MED-e58735b6-2
0.337
BEN-DND-93268d01-5
0.337
BEN-DND-09b88bf4-6
0.337