Molecular Properties | |
SMILES: | CC(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 436.17 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
0.831
MAT-POS-8293a91a-5
0.831
MAT-POS-8293a91a-4
0.831
EDJ-MED-c40d95bc-2
0.789
MAT-POS-4223bc15-25
0.789
MAT-POS-4223bc15-21
0.789
MAT-POS-5cd9ea36-15
0.779
MAT-POS-4223bc15-24
0.774
MAT-POS-4223bc15-22
0.774
MAT-POS-5cd9ea36-13
0.768
EDJ-MED-c82a5324-3
0.763
NIR-WEI-dcc3321b-6
0.755
NIR-WEI-dcc3321b-4
0.745
EDJ-MED-c82a5324-2
0.745
EDJ-MED-e9a22d5d-1
0.723
RAL-THA-ee48ba5f-5
0.716
MAT-POS-4223bc15-27
0.716
MIC-UNK-482af05e-2
0.716
PET-UNK-162c14b2-1
0.713
MAT-POS-61f37a1a-12
0.713
MIC-UNK-482af05e-1
0.701
MAT-POS-4223bc15-26
0.698
MAT-POS-4223bc15-28
0.694
MAT-POS-4223bc15-19
0.691
RAL-THA-6e4c80cf-1
0.691
RAL-THA-ee48ba5f-4
0.691
MAT-UNK-35705829-1
0.687
RAL-THA-ee48ba5f-1
0.687
EDJ-MED-fa7708b3-1
0.687
CLI-TLC-36f34aa2-1
0.683
JOH-UNI-ededfdb6-5
0.683
EDJ-MED-c40d95bc-1
0.683
RAL-THA-ee48ba5f-2
0.680
MAT-UNK-f490e871-1
0.680
MAT-UNK-04ae9652-1
0.680
EDJ-MED-7889e8da-3
0.673
EDJ-MED-0186a59b-2
0.673
NIR-WEI-dcc3321b-1
0.673
BEN-DND-f2e727cd-6
0.670
MAT-POS-dd3ad2b5-1
0.670
JOH-UNI-ededfdb6-8
0.670
MAT-POS-4223bc15-20
0.667
RAL-THA-6e4c80cf-2
0.667
JOH-UNI-ededfdb6-3
0.667
NIR-WEI-dcc3321b-5
0.664
MAT-POS-4223bc15-18
0.660
EDJ-MED-0186a59b-1
0.657
BEN-DND-f06bfa8e-2
0.657
ALP-POS-6f6ae286-5
0.657
EDJ-MED-7889e8da-1
0.657
PET-UNK-9b23ef84-2
0.656
MAT-POS-dd3ad2b5-2
0.656
MAT-POS-24589f88-2
0.656
MAT-POS-24589f88-3
0.656
MAT-POS-dd3ad2b5-4
0.656
MAT-POS-5cd9ea36-4
0.653
MAT-POS-4223bc15-6
0.653
RAL-THA-ee48ba5f-6
0.650
NIR-WEI-dcc3321b-2
0.649
EDJ-MED-fa7708b3-3
0.648
JOH-UNI-ededfdb6-7
0.648
RAL-THA-ee48ba5f-3
0.648
EDJ-MED-76744c27-5
0.647
PET-UNK-5ba9a1cb-3
0.644
PET-UNK-5ba9a1cb-2
0.644
ALF-EVA-0e90125c-9
0.644
JOH-UNI-6b98e24c-1
0.641
EDJ-MED-43f8f7d6-3
0.641
RAL-THA-a9c31980-3
0.641
NIR-WEI-dcc3321b-3
0.640
MAT-POS-dd3ad2b5-3
0.639
EDJ-MED-fa7708b3-2
0.638
PET-UNK-5ba9a1cb-1
0.638
DAR-DIA-d8bd013f-1
0.637
DAR-DIA-d8bd013f-3
0.637
MAT-POS-5cd9ea36-14
0.637
MAT-POS-4223bc15-1
0.636
MAT-POS-dd3ad2b5-5
0.636
MAT-POS-5cd9ea36-19
0.631
EDJ-MED-7f6e5b75-1
0.631
MAT-POS-4223bc15-2
0.630
EDJ-MED-12c4873b-3
0.630
PET-UNK-d61f3ea6-2
0.630
MAT-POS-4223bc15-5
0.627
MAT-POS-5cd9ea36-17
0.627
MAT-POS-2e8b2191-10
0.626
EDJ-MED-c82a5324-1
0.625
DAR-DIA-d8bd013f-2
0.625
DAR-DIA-d8bd013f-4
0.625
DAR-DIA-d8bd013f-7
0.625
DAR-DIA-d8bd013f-8
0.625
PET-UNK-af70882d-2
0.625
MAT-POS-4223bc15-35
0.624
BRU-THA-98e973b9-1
0.624
BRU-THA-d60fe444-1
0.624
EDJ-MED-0186a59b-3
0.623
MAT-POS-97ec4bd1-3
0.623
EDJ-MED-7889e8da-5
0.623
MAT-POS-b4d6b7fc-1
0.620
MAT-POS-4223bc15-3
0.620