Molecule Details
| Molecular Properties | |
| SMILES: | CCn1nccc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 459.15 |
| Fraction sp3: | 0.2 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 80.12 |
| cLogP: | 4.48 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-be048f2c-4
0.859
MAT-POS-4223bc15-40
0.780
MAT-POS-be048f2c-3
0.750
MAT-POS-be048f2c-2
0.743
MAT-POS-4223bc15-41
0.740
MAT-POS-4223bc15-37
0.718
MAT-POS-4223bc15-38
0.702
RAL-THA-6e4c80cf-1
0.694
MAT-POS-4223bc15-19
0.694
PET-UNK-9b23ef84-2
0.694
MAT-POS-dd3ad2b5-2
0.694
MAT-POS-4223bc15-20
0.686
RAL-THA-6e4c80cf-2
0.686
MAT-POS-4223bc15-18
0.680
MAT-POS-dd3ad2b5-3
0.677
MAT-POS-4223bc15-36
0.676
MAT-POS-dd3ad2b5-5
0.673
MAT-POS-4223bc15-39
0.667
MAT-POS-4223bc15-35
0.660
MAT-POS-4223bc15-17
0.657
MAT-POS-4223bc15-33
0.648
ALF-EVA-0e90125c-1
0.639
EDJ-MED-c40d95bc-2
0.631
MAT-POS-4223bc15-21
0.631
RAL-THA-6e4c80cf-3
0.628
MAT-POS-4223bc15-6
0.625
RAL-THA-6e4c80cf-4
0.625
MAT-POS-dd3ad2b5-1
0.624
BEN-DND-f2e727cd-6
0.624
VLA-UNK-5b0345c3-2
0.622
RAL-THA-ee48ba5f-5
0.619
MAT-POS-8293a91a-5
0.619
MAT-POS-8293a91a-4
0.619
MAT-POS-4223bc15-23
0.619
MAT-POS-4223bc15-25
0.615
ALF-EVA-0e90125c-2
0.613
MAT-POS-24589f88-2
0.612
MAT-POS-24589f88-3
0.612
MAT-POS-dd3ad2b5-4
0.612
MIC-UNK-482af05e-1
0.607
MAT-POS-4223bc15-24
0.607
MAT-POS-4223bc15-22
0.607
MIC-UNK-482af05e-2
0.604
MAT-POS-4223bc15-27
0.604
PET-UNK-d61f3ea6-2
0.604
MAT-POS-5cd9ea36-17
0.602
VLA-UNK-5b0345c3-1
0.602
PET-UNK-162c14b2-1
0.600
MAT-POS-61f37a1a-12
0.600
EDJ-MED-12c4873b-7
0.600
RAL-THA-952697e1-1
0.600
RAL-THA-952697e1-2
0.600
MAT-UNK-35705829-1
0.596
EDJ-MED-fa7708b3-1
0.596
RAL-THA-ee48ba5f-1
0.596
MAT-POS-777f5926-2
0.595
RAL-THA-952697e1-3
0.595
RAL-THA-952697e1-4
0.595
EDJ-MED-12c4873b-5
0.595
MAT-POS-4223bc15-3
0.594
MAT-POS-4223bc15-1
0.594
EDJ-MED-e9a22d5d-1
0.594
CLI-TLC-3a13eaf2-1
0.593
MAT-UNK-04ae9652-1
0.591
MAT-UNK-f490e871-1
0.591
JOH-UNI-ededfdb6-1
0.591
MAT-POS-4223bc15-26
0.589
EDJ-MED-12c4873b-3
0.589
MAT-POS-4223bc15-2
0.589
MAT-POS-bf364d7a-7
0.588
MAT-POS-bf364d7a-8
0.588
EDJ-MED-76744c27-4
0.588
ALF-EVA-07677224-7
0.588
MAT-POS-4223bc15-28
0.587
MAT-POS-4223bc15-7
0.587
MAT-POS-5cd9ea36-15
0.586
PET-UNK-d61f3ea6-3
0.586
MAT-POS-5cd9ea36-16
0.586
XIA-UNK-284f966f-1
0.584
PET-UNK-94036022-1
0.584
PET-UNK-94036022-8
0.584
MAT-POS-4223bc15-13
0.583
BRU-THA-d60fe444-1
0.583
RAL-THA-ee48ba5f-4
0.583
MAT-POS-bf364d7a-1
0.583
MAT-POS-bf364d7a-2
0.583
EDJ-MED-4fff0a85-3
0.583
MAT-POS-4223bc15-29
0.582
MAT-POS-dc2604c4-2
0.578
RAL-THA-ee48ba5f-2
0.577
EDJ-MED-7f6e5b75-1
0.577
PET-UNK-af70882d-3
0.577
PET-UNK-af70882d-4
0.577
EDJ-MED-76744c27-5
0.577
MAT-POS-5cd9ea36-13
0.577
MAT-POS-5cd9ea36-20
0.577
MAT-POS-dd1fff26-1
0.575
MAT-POS-dd1fff26-2
0.575
EDJ-MED-c82a5324-3
0.575
EDJ-MED-c82a5324-2
0.575