Molecular Properties | |
SMILES: | CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C#N)CC2)c1 |
MW: | 341.15 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-55
0.731
DAR-DIA-0cde14eb-56
0.713
DAR-DIA-0cde14eb-57
0.713
DAR-DIA-0cde14eb-58
0.713
DAR-DIA-0cde14eb-15
0.607
DAR-DIA-0cde14eb-54
0.600
DAR-DIA-0cde14eb-43
0.571
DAR-DIA-0cde14eb-59
0.568
MAT-POS-fce787c2-3
0.561
DAR-DIA-0cde14eb-50
0.478
VLA-UNK-9a7dc93f-7
0.467
JOH-UNI-ee5ed7c8-6
0.457
JOH-UNI-3fc3434e-6
0.457
DAR-DIA-0cde14eb-52
0.457
MAK-UNK-919546f0-2
0.452
MAK-UNK-f481d203-3
0.452
MAK-UNK-f481d203-4
0.452
EDJ-MED-cf4b0d25-4
0.452
MAT-POS-fce787c2-8
0.451
DAR-DIA-0cde14eb-46
0.441
DAR-DIA-0cde14eb-51
0.441
DAR-DIA-0cde14eb-53
0.441
MAT-POS-fce787c2-5
0.440
MAT-POS-fce787c2-4
0.438
MAT-POS-de59a476-1
0.438
MAK-UNK-ffc90da7-1
0.436
MAK-UNK-c749d764-6
0.436
MAT-POS-1f3f1a6f-2
0.435
MIC-UNK-5a93dd5f-10
0.433
NIR-THE-590dedc7-1
0.433
MIC-UNK-6ab519a7-1
0.433
NAU-LAT-a5c7d7cb-2
0.433
MAT-POS-fce787c2-11
0.429
MAT-POS-1f3f1a6f-3
0.426
MAT-POS-de59a476-2
0.424
DAR-DIA-0cde14eb-10
0.424
NAU-LAT-2fed8305-2
0.424
EDJ-MED-ee07cf00-4
0.423
MAT-POS-1f3f1a6f-1
0.422
MIC-UNK-5a93dd5f-2
0.416
MAK-UNK-ffc90da7-7
0.416
MIC-UNK-5a93dd5f-8
0.412
DAR-DIA-0cde14eb-48
0.411
MIC-UNK-d36ab305-1
0.410
VLA-UNK-9a7dc93f-5
0.406
VLA-UNK-9a7dc93f-6
0.406
DAR-DIA-0cde14eb-47
0.406
DAR-DIA-0cde14eb-49
0.406
MIC-UNK-d36ab305-4
0.406
MAK-UNK-ffc90da7-4
0.405
MAK-UNK-c749d764-22
0.405
LON-WEI-af038623-3
0.405
DAR-DIA-0cde14eb-13
0.404
DAR-DIA-0cde14eb-12
0.404
DAR-DIA-0cde14eb-11
0.404
RAL-THA-2d450e86-21
0.404
DAR-DIA-0cde14eb-40
0.404
MAT-POS-1f3f1a6f-4
0.404
NAU-LAT-2fed8305-1
0.402
MIC-UNK-5a93dd5f-1
0.402
EDJ-MED-ee07cf00-5
0.402
MIC-UNK-5a93dd5f-4
0.400
MIC-UNK-5a93dd5f-6
0.400
MIC-UNK-5a93dd5f-9
0.400
NAU-LAT-2fed8305-7
0.400
MIC-UNK-c66144cb-2
0.398
RAL-THA-2d450e86-12
0.398
TRY-UNI-714a760b-21
0.398
EDG-MED-90036822-80
0.396
EDJ-MED-cf4b0d25-3
0.396
RAL-THA-2d450e86-40
0.396
MAK-UNK-919546f0-4
0.395
EDJ-MED-cf4b0d25-5
0.394
MAT-POS-281d2ee9-1
0.394
MAT-POS-de59a476-4
0.394
ALP-POS-bb8a3193-6
0.393
EDJ-MED-cf4b0d25-1
0.393
MAT-POS-fce787c2-10
0.392
ED_-GRI-5b13fbe2-50
0.390
MAT-POS-d8472c4f-2
0.389
ALP-POS-fe871b40-3
0.389
MIC-UNK-5a93dd5f-5
0.389
MAT-POS-de59a476-5
0.388
PET-UNK-1320d94d-2
0.387
PET-UNK-1320d94d-1
0.387
ALP-POS-f13221e1-3
0.387
ALP-POS-3b848b35-4
0.387
MIC-UNK-c66144cb-3
0.387
DAR-DIA-0cde14eb-41
0.386
DAR-DIA-0cde14eb-42
0.386
DAR-DIA-0cde14eb-44
0.386
MIC-UNK-5a93dd5f-3
0.385
MIC-UNK-5a93dd5f-7
0.385
BEN-DND-6de5dfa0-11
0.385
EDJ-MED-d08626de-3
0.385
ALP-POS-6747fa38-1
0.385
EDJ-MED-d08626de-5
0.385
NIR-THE-d08c3b48-1
0.385
VLA-UCB-05e51b3f-1
0.385
NAU-LAT-a5c7d7cb-1
0.385