Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)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-6c45c019-7
0.908
CHR-SOS-6c45c019-4
0.881
CHR-SOS-6c45c019-1
0.855
CHR-SOS-6c45c019-16
0.662
CHR-SOS-6c45c019-11
0.622
CHR-SOS-6c45c019-12
0.608
CHR-SOS-6c45c019-15
0.603
CHR-SOS-6c45c019-14
0.588
CHR-SOS-6c45c019-13
0.573
CHR-SOS-6c45c019-8
0.564
CHR-SOS-6c45c019-9
0.551
CHR-SOS-6c45c019-5
0.550
CHR-SOS-6c45c019-6
0.537
CHR-SOS-6c45c019-2
0.537
CHR-SOS-6c45c019-3
0.524
WAR-XCH-bdd24732-45
0.484
CHR-SOS-1f323c23-10
0.468
CHR-SOS-1f323c23-7
0.457
CHR-SOS-1f323c23-4
0.451
CHR-SOS-1f323c23-1
0.440
WAR-XCH-e55cba98-9
0.434
BEN-DND-93268d01-4
0.430
TRY-UNI-714a760b-4
0.419
ALE-HEI-f28a35b5-1
0.419
DAR-DIA-0cde14eb-6
0.417
ALE-HEI-f28a35b5-13
0.405
DAR-DIA-0cde14eb-5
0.405
TRY-UNI-714a760b-11
0.403
ALE-HEI-f28a35b5-7
0.403
MAT-POS-13203bf4-1
0.402
DAR-DIA-0cde14eb-7
0.400
MAK-UNK-6ca90168-26
0.400
DAR-DIA-0cde14eb-8
0.400
CHR-SOS-1f323c23-12
0.398
THO-SYG-cc9e9a11-1
0.395
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
CHR-SOS-1f323c23-6
0.393
CHR-SOS-1f323c23-11
0.391
THO-SYG-cc9e9a11-2
0.391
MAT-POS-02ae579f-2
0.391
DAR-DIA-0cde14eb-9
0.391
CHR-SOS-1f323c23-9
0.389
MAT-POS-590ac91e-21
0.388
MAT-POS-590ac91e-9
0.385
ASH-SAT-43770c7d-9
0.384
CHR-SOS-1f323c23-8
0.383
DAR-DIA-0cde14eb-69
0.379
CHR-SOS-1f323c23-5
0.379
MAT-POS-590ac91e-27
0.378
TRY-UNI-714a760b-5
0.377
DAR-DIA-0cde14eb-68
0.376
DAR-DIA-0cde14eb-65
0.376
CHR-SOS-1f323c23-3
0.376
MAT-POS-590ac91e-26
0.375
CHR-SOS-b301fc01-1
0.374
MAT-POS-590ac91e-29
0.373
DAR-DIA-0cde14eb-67
0.372
DAR-DIA-0cde14eb-66
0.372
MAT-POS-590ac91e-6
0.372
CHR-SOS-1f323c23-2
0.371
TRY-UNI-714a760b-12
0.370
ALE-HEI-f28a35b5-11
0.370
JAG-UCB-cedd89ab-8
0.370
MAT-POS-590ac91e-15
0.370
MAT-POS-590ac91e-3
0.370
TRY-UNI-714a760b-24
0.369
MAT-POS-590ac91e-11
0.368
WAR-XCH-e55cba98-13
0.367
MAT-POS-590ac91e-5
0.367
AHN-SAT-202241f6-1
0.367
ALE-HEI-f28a35b5-2
0.367
TRY-UNI-714a760b-17
0.367
CHR-SOS-363cfb78-7
0.367
MAK-UNK-6ca90168-27
0.366
NAU-LAT-3f5f3993-2
0.366
MAT-POS-590ac91e-1
0.365
ERI-UCB-5b47150d-1
0.365
MAT-POS-590ac91e-2
0.365
MAT-POS-590ac91e-16
0.364
MAT-POS-5d20d11c-1
0.364
WAR-XCH-e55cba98-1
0.363
SAM-UNK-2684b532-8
0.363
ABI-SAT-4d06482b-1
0.362
MAT-POS-590ac91e-22
0.362
MAT-POS-590ac91e-24
0.358
MAT-POS-590ac91e-4
0.358
BEN-DND-93268d01-3
0.358
BEN-DND-93268d01-2
0.357
CHR-SOS-363cfb78-2
0.357
ERI-UCB-5b47150d-4
0.355
THO-SYG-cc9e9a11-4
0.354
ANN-UNI-98d2bf15-1
0.354
JOH-UNI-abfda500-6
0.354
MAT-POS-590ac91e-25
0.353
BEN-DND-93268d01-7
0.353
MAK-UNK-129dcd6f-15
0.352
SIM-DEM-f31d0e65-1
0.352
ALE-HEI-f28a35b5-12
0.351
MAT-POS-590ac91e-13
0.351