Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2cccnc2)CC1 |
MW: | 292.342 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 2.49082 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-6c45c019-8
0.905
CHR-SOS-6c45c019-5
0.877
CHR-SOS-6c45c019-2
0.851
CHR-SOS-6c45c019-12
0.721
CHR-SOS-6c45c019-9
0.653
CHR-SOS-6c45c019-6
0.635
CHR-SOS-6c45c019-10
0.622
CHR-SOS-6c45c019-3
0.618
CHR-SOS-6c45c019-16
0.592
CHR-SOS-6c45c019-7
0.564
CHR-SOS-6c45c019-4
0.550
CHR-SOS-6c45c019-15
0.537
CHR-SOS-6c45c019-1
0.537
CHR-SOS-6c45c019-14
0.524
CHR-SOS-6c45c019-13
0.512
WAR-XCH-e55cba98-9
0.500
CHR-SOS-1f323c23-10
0.481
CHR-SOS-1f323c23-7
0.468
CHR-SOS-1f323c23-4
0.463
CHR-SOS-1f323c23-1
0.451
CHR-SOS-1f323c23-11
0.432
DAR-DIA-0cde14eb-6
0.427
DAR-DIA-0cde14eb-7
0.427
CHR-SOS-1f323c23-12
0.424
CHR-SOS-1f323c23-8
0.422
CHR-SOS-1f323c23-6
0.419
CHR-SOS-1f323c23-5
0.418
DAR-DIA-0cde14eb-5
0.415
CHR-SOS-1f323c23-9
0.414
TRY-UNI-714a760b-24
0.412
ALE-HEI-f28a35b5-1
0.411
TRY-UNI-714a760b-4
0.411
DAR-DIA-0cde14eb-8
0.410
CHR-SOS-1f323c23-2
0.409
AAR-POS-d2a4d1df-3
0.406
MAK-UNK-6435e6c2-8
0.406
DAR-DIA-0cde14eb-69
0.405
DAR-DIA-0cde14eb-9
0.400
CHR-SOS-1f323c23-3
0.400
CHR-SOS-363cfb78-2
0.400
ALE-HEI-f28a35b5-13
0.397
MAT-POS-13203bf4-1
0.395
MAT-POS-590ac91e-5
0.395
MAT-POS-590ac91e-9
0.395
ALE-HEI-f28a35b5-7
0.395
TRY-UNI-714a760b-11
0.395
ASH-SAT-43770c7d-9
0.394
MAK-UNK-6ca90168-26
0.391
CHR-SOS-363cfb78-7
0.391
MAT-POS-590ac91e-27
0.388
DAR-DIA-0cde14eb-65
0.386
DAR-DIA-0cde14eb-68
0.386
MAT-POS-590ac91e-26
0.385
MAT-POS-02ae579f-2
0.384
MAT-POS-590ac91e-6
0.382
DAR-DIA-0cde14eb-66
0.381
DAR-DIA-0cde14eb-67
0.381
MAT-POS-590ac91e-15
0.380
MAT-POS-590ac91e-3
0.380
MAT-POS-590ac91e-21
0.380
TRY-UNI-714a760b-12
0.380
JAG-UCB-cedd89ab-8
0.380
MAK-UNK-6ca90168-27
0.377
ALE-HEI-f28a35b5-2
0.377
ERI-UCB-5b47150d-1
0.375
MAT-POS-590ac91e-2
0.375
NAU-LAT-3f5f3993-2
0.375
MAK-UNK-129dcd6f-4
0.375
MAT-POS-590ac91e-1
0.375
CHR-SOS-b301fc01-2
0.372
MAT-POS-590ac91e-22
0.372
MAT-POS-590ac91e-14
0.370
TRY-UNI-714a760b-5
0.368
MAT-POS-590ac91e-24
0.367
MAT-POS-590ac91e-29
0.366
GAB-REV-70cc3ca5-13
0.366
ERI-UCB-5b47150d-4
0.365
BEN-DND-6de5dfa0-6
0.365
ALE-HEI-f28a35b5-11
0.362
MAT-POS-590ac91e-25
0.361
SIM-DEM-f31d0e65-1
0.360
TRY-UNI-714a760b-22
0.360
MAK-UNK-129dcd6f-12
0.360
ALE-HEI-f28a35b5-12
0.360
MAT-POS-590ac91e-11
0.360
MAT-POS-590ac91e-13
0.360
DAR-DIA-0cde14eb-12
0.360
DAR-DIA-0cde14eb-11
0.360
ERI-UCB-5b47150d-6
0.359
AHN-SAT-202241f6-1
0.359
TRY-UNI-714a760b-17
0.359
BEN-DND-93268d01-14
0.358
CHR-SOS-363cfb78-6
0.357
DAR-DIA-0cde14eb-2
0.356
TRY-UNI-1fd04853-2
0.356
MAT-POS-5d20d11c-1
0.355
MAT-POS-590ac91e-16
0.355
ABI-SAT-4d06482b-1
0.354
MAT-POS-590ac91e-23
0.354
BAR-COM-0f94fc3d-19
0.353