Molecular Properties | |
SMILES: | CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(Cl)CC2)c1 |
MW: | 350.12 |
Fraction sp3: | 0.24 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-0cde14eb-55
0.760
DAR-DIA-0cde14eb-57
0.740
DAR-DIA-0cde14eb-58
0.740
DAR-DIA-0cde14eb-60
0.713
MAT-POS-fce787c2-3
0.603
DAR-DIA-0cde14eb-11
0.593
DAR-DIA-0cde14eb-51
0.578
DAR-DIA-0cde14eb-41
0.557
DAR-DIA-0cde14eb-47
0.553
VLA-UNK-9a7dc93f-7
0.500
EDJ-MED-cf4b0d25-4
0.483
DAR-DIA-0cde14eb-50
0.477
MAT-POS-fce787c2-5
0.471
MAT-POS-de59a476-1
0.471
MAT-POS-fce787c2-4
0.471
MAK-UNK-919546f0-2
0.469
MAK-UNK-f481d203-3
0.469
MAK-UNK-f481d203-4
0.469
MAT-POS-1f3f1a6f-2
0.466
NAU-LAT-a5c7d7cb-2
0.462
MIC-UNK-5a93dd5f-10
0.462
MIC-UNK-6ab519a7-1
0.462
NIR-THE-590dedc7-1
0.462
MAT-POS-fce787c2-11
0.460
MAT-POS-1f3f1a6f-3
0.456
DAR-DIA-0cde14eb-46
0.456
MAT-POS-de59a476-2
0.455
NAU-LAT-2fed8305-2
0.455
MAT-POS-1f3f1a6f-1
0.453
EDJ-MED-ee07cf00-4
0.450
MAT-POS-1f3f1a6f-4
0.447
MAK-UNK-ffc90da7-7
0.443
MIC-UNK-5a93dd5f-2
0.443
JOH-UNI-3fc3434e-6
0.441
JOH-UNI-ee5ed7c8-6
0.441
DAR-DIA-0cde14eb-52
0.440
DAR-DIA-0cde14eb-53
0.440
MIC-UNK-5a93dd5f-8
0.439
DAR-DIA-0cde14eb-10
0.438
PET-UNK-1320d94d-2
0.438
PET-UNK-1320d94d-1
0.438
MIC-UNK-d36ab305-1
0.438
MAT-POS-281d2ee9-1
0.436
VLA-UNK-9a7dc93f-5
0.435
VLA-UNK-9a7dc93f-6
0.435
MAK-UNK-c749d764-6
0.434
MAK-UNK-ffc90da7-1
0.434
MAT-POS-fce787c2-8
0.433
MAT-POS-fce787c2-10
0.433
MIC-UNK-d36ab305-4
0.433
NAU-LAT-2fed8305-1
0.432
DAR-DIA-0cde14eb-54
0.430
MIC-UNK-5a93dd5f-1
0.429
NAU-LAT-2fed8305-7
0.429
MAT-POS-d8472c4f-2
0.426
MIC-UNK-c66144cb-3
0.426
MIC-UNK-5a93dd5f-4
0.426
MIC-UNK-5a93dd5f-6
0.426
ALP-POS-3b848b35-4
0.426
MIC-UNK-5a93dd5f-9
0.426
DAR-DIA-0cde14eb-48
0.424
DAR-DIA-6a508060-11
0.424
EDJ-MED-cf4b0d25-3
0.422
LON-WEI-af038623-3
0.421
MAT-POS-de59a476-4
0.421
DAR-DIA-0cde14eb-49
0.419
PET-UNK-1320d94d-21
0.419
PET-UNK-1320d94d-22
0.419
DAR-DIA-0cde14eb-12
0.418
DAR-DIA-0cde14eb-13
0.418
DAR-DIA-0cde14eb-40
0.417
MAT-POS-de59a476-5
0.415
MIC-UNK-5a93dd5f-5
0.413
RAL-THA-2d450e86-36
0.412
PET-UNK-1320d94d-11
0.411
PET-UNK-1320d94d-12
0.411
MIC-UNK-c66144cb-2
0.410
MIC-UNK-5a93dd5f-3
0.410
MIC-UNK-5a93dd5f-7
0.410
RAL-THA-2d450e86-13
0.409
DAR-DIA-0cde14eb-59
0.406
MIC-UNK-c66144cb-1
0.406
EDJ-MED-cf4b0d25-5
0.406
ALP-POS-ddb41b15-6
0.404
DAR-DIA-0cde14eb-15
0.404
MIC-UNK-5a93dd5f-11
0.404
MAK-UNK-c749d764-22
0.404
MAK-UNK-ffc90da7-4
0.404
EDJ-MED-ee07cf00-6
0.404
EDJ-MED-2f867453-2
0.402
MAT-POS-afd4d4fd-1
0.400
ALP-POS-f13221e1-3
0.400
RAL-THA-2d450e86-19
0.400
PET-UNK-1320d94d-5
0.400
RAL-THA-2d450e86-20
0.400
PET-UNK-1320d94d-6
0.400
DAR-DIA-0cde14eb-42
0.398
DAR-DIA-0cde14eb-44
0.398
FRA-DIA-0fa076fe-1
0.398
FRA-DIA-c7e803f4-1
0.398