Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1 |
MW: | 384.17 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 5.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-0cde14eb-20
0.782
DAR-DIA-0cde14eb-22
0.762
DAR-DIA-0cde14eb-23
0.753
DAR-DIA-0cde14eb-24
0.726
DAR-DIA-0cde14eb-26
0.618
DAR-DIA-0cde14eb-17
0.614
DAR-DIA-0cde14eb-6
0.536
DAR-DIA-0cde14eb-18
0.495
DAR-DIA-0cde14eb-25
0.495
DAR-DIA-0cde14eb-16
0.495
DAR-DIA-0cde14eb-27
0.490
DAR-DIA-0cde14eb-28
0.490
DAR-DIA-0cde14eb-66
0.488
DAR-DIA-0cde14eb-19
0.479
DAR-DIA-0cde14eb-30
0.470
DAR-DIA-0cde14eb-8
0.466
DAR-DIA-0cde14eb-29
0.465
DAR-DIA-0cde14eb-65
0.460
DAR-DIA-0cde14eb-5
0.455
DAR-DIA-0cde14eb-7
0.449
DAR-DIA-0cde14eb-68
0.443
DAR-DIA-0cde14eb-9
0.440
DAR-DIA-0cde14eb-67
0.438
DAR-DIA-0cde14eb-69
0.429
JAG-UCB-cedd89ab-8
0.424
TRY-UNI-714a760b-12
0.424
TRY-UNI-714a760b-4
0.420
ALE-HEI-f28a35b5-1
0.420
CHR-SOS-363cfb78-2
0.393
TRY-UNI-714a760b-24
0.389
WAR-XCH-e55cba98-9
0.387
DAR-DIA-0cde14eb-11
0.385
BEN-DND-93268d01-11
0.384
DAR-DIA-0cde14eb-3
0.379
ALE-HEI-f28a35b5-7
0.372
TRY-UNI-714a760b-11
0.372
CHR-SOS-6c45c019-6
0.371
CHR-SOS-6c45c019-5
0.367
CHR-SOS-6c45c019-9
0.365
CHR-SOS-1f323c23-1
0.365
CHR-SOS-6c45c019-3
0.364
CHR-SOS-1f323c23-7
0.362
CHR-SOS-6c45c019-8
0.361
DAR-DIA-0cde14eb-71
0.361
CHR-SOS-6c45c019-2
0.360
MAT-POS-590ac91e-15
0.360
BEN-DND-22e6b372-3
0.359
CHR-SOS-1f323c23-4
0.358
CHR-SOS-363cfb78-7
0.357
CHR-SOS-6c45c019-14
0.356
ALE-HEI-f28a35b5-2
0.356
MAT-POS-590ac91e-9
0.356
NAU-LAT-3f5f3993-2
0.356
CHR-SOS-1f323c23-10
0.355
SAM-UNK-2684b532-8
0.354
CHR-SOS-6c45c019-15
0.350
SIM-DEM-2d7ee9fd-1
0.350
CHR-SOS-6c45c019-13
0.350
CHR-SOS-1f323c23-2
0.349
ALE-HEI-f28a35b5-17
0.349
SCO-VAN-260d9628-1
0.349
MAT-POS-044491d2-5
0.349
CHR-SOS-6c45c019-4
0.347
CHR-SOS-1f323c23-8
0.346
MAT-POS-590ac91e-6
0.345
MAT-POS-590ac91e-25
0.344
CHR-SOS-6c45c019-12
0.344
MAK-UNK-129dcd6f-15
0.344
CHR-SOS-1f323c23-5
0.343
MIC-UNK-ea979c74-2
0.343
MAK-UNK-6435e6c2-8
0.342
AAR-POS-d2a4d1df-3
0.342
ALE-HEI-f28a35b5-13
0.341
TRY-UNI-1fd04853-2
0.340
DAR-DIA-0cde14eb-62
0.340
CHR-SOS-6c45c019-11
0.340
CHR-SOS-1f323c23-6
0.340
CHR-SOS-6c45c019-7
0.340
CHR-SOS-1f323c23-3
0.340
CHR-SOS-1f323c23-11
0.340
SAD-SAT-7d5528d9-7
0.340
CHR-SOS-6c45c019-1
0.340
MAK-UNK-6ca90168-27
0.338
MAT-POS-590ac91e-1
0.337
MAT-POS-590ac91e-2
0.337
ERI-UCB-5b47150d-1
0.337
DAR-DIA-6a508060-12
0.337
MAT-POS-590ac91e-22
0.337
BEN-DND-22e6b372-4
0.337
JAN-GHE-83b26c96-20
0.337
EDG-MED-0da5ad92-11
0.337
CHR-SOS-1f323c23-9
0.337
MAT-POS-590ac91e-26
0.333
MAK-UNK-6ca90168-26
0.333
WAR-XCH-e55cba98-11
0.333
PET-SGC-6016d8e6-1
0.330
NAU-LAT-a5c7d7cb-3
0.330
VLA-UCB-05e51b3f-2
0.330
CHR-SOS-6c45c019-16
0.330
CHR-SOS-1f323c23-12
0.330