Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 379.11 |
| Fraction sp3: | 0.19 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 62.3 |
| cLogP: | 3.97 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-dd3ad2b5-2
1.000
MAT-POS-4223bc15-19
0.829
RAL-THA-6e4c80cf-1
0.829
MAT-POS-4223bc15-18
0.810
MAT-POS-dd3ad2b5-3
0.807
MAT-POS-dd3ad2b5-5
0.800
MAT-POS-4223bc15-17
0.779
MAT-POS-4223bc15-20
0.773
RAL-THA-6e4c80cf-2
0.773
MAT-POS-4223bc15-35
0.761
MAT-POS-4223bc15-41
0.756
MAT-POS-4223bc15-33
0.744
MAT-POS-dd3ad2b5-1
0.741
BEN-DND-f2e727cd-6
0.741
MAT-POS-4223bc15-37
0.731
MAT-POS-24589f88-2
0.724
MAT-POS-24589f88-3
0.724
MAT-POS-dd3ad2b5-4
0.724
MAT-POS-4223bc15-40
0.723
MAT-POS-4223bc15-36
0.720
ALF-EVA-0e90125c-2
0.716
ALF-EVA-0e90125c-1
0.713
MAT-POS-4223bc15-38
0.713
EDJ-MED-12c4873b-3
0.711
MAT-POS-4223bc15-39
0.708
PET-UNK-9b23ef84-3
0.708
MAT-POS-61f37a1a-12
0.708
PET-UNK-162c14b2-1
0.708
MAT-POS-4223bc15-6
0.700
EDJ-MED-e9a22d5d-1
0.700
MAT-POS-4223bc15-1
0.700
MAT-POS-be048f2c-1
0.694
PET-UNK-d61f3ea6-2
0.692
RAL-THA-ee48ba5f-5
0.692
MAT-POS-8293a91a-4
0.692
MAT-POS-4223bc15-2
0.692
MAT-POS-4223bc15-23
0.692
MAT-POS-4223bc15-27
0.692
MIC-UNK-482af05e-2
0.692
MAT-POS-8293a91a-5
0.692
VLA-UNK-5b0345c3-2
0.691
EDJ-MED-c40d95bc-2
0.689
MAT-POS-4223bc15-21
0.689
MAT-POS-4223bc15-25
0.689
MAT-POS-5cd9ea36-17
0.688
MAT-POS-be048f2c-2
0.687
MAT-POS-4223bc15-3
0.681
DAR-DIA-d8bd013f-3
0.681
MAT-POS-5cd9ea36-14
0.681
DAR-DIA-d8bd013f-1
0.681
MAT-POS-be048f2c-4
0.680
MAT-POS-4223bc15-22
0.677
MAT-POS-4223bc15-24
0.677
CLI-TLC-3a13eaf2-1
0.677
MIC-UNK-482af05e-1
0.677
MAT-POS-be048f2c-3
0.677
RAL-THA-6e4c80cf-4
0.677
MAT-POS-4223bc15-26
0.674
MAT-POS-5cd9ea36-2
0.670
MAT-POS-4223bc15-28
0.670
EDJ-MED-c82a5324-1
0.667
RAL-THA-ee48ba5f-4
0.667
DAR-DIA-d8bd013f-2
0.667
DAR-DIA-d8bd013f-4
0.667
DAR-DIA-d8bd013f-7
0.667
DAR-DIA-d8bd013f-8
0.667
BRU-THA-98e973b9-1
0.667
BRU-THA-d60fe444-1
0.667
MAT-POS-4223bc15-13
0.667
RAL-THA-6e4c80cf-3
0.663
MAT-POS-4223bc15-29
0.663
EDJ-MED-fa7708b3-1
0.663
RAL-THA-ee48ba5f-1
0.663
MAT-UNK-35705829-1
0.663
MAT-POS-5cd9ea36-4
0.663
EDJ-MED-12c4873b-1
0.663
BEN-DND-32596b04-8
0.660
DAR-DIA-d8bd013f-5
0.660
DAR-DIA-d8bd013f-6
0.660
EDJ-MED-1981ceba-2
0.660
BEN-DND-32596b04-7
0.660
MAT-UNK-04ae9652-1
0.656
RAL-THA-ee48ba5f-2
0.656
PET-UNK-af70882d-3
0.656
PET-UNK-af70882d-4
0.656
JOH-UNI-ededfdb6-1
0.656
MAT-POS-5cd9ea36-19
0.656
EDJ-MED-7f6e5b75-1
0.656
MAT-UNK-f490e871-1
0.656
EDJ-MED-76744c27-5
0.656
MAT-POS-5cd9ea36-3
0.656
MAT-POS-5cd9ea36-20
0.656
MAT-POS-4223bc15-5
0.653
DAR-DIA-4987d2cd-2
0.653
MAT-POS-4223bc15-7
0.653
MAT-POS-4223bc15-15
0.653
MAT-POS-5cd9ea36-15
0.649
MAT-POS-5cd9ea36-16
0.649
MAT-POS-4223bc15-34
0.649
PET-UNK-d61f3ea6-3
0.649