Molecule Details
| Molecular Properties | |
| SMILES: | CCCn1nccc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 473.16 |
| Fraction sp3: | 0.23 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 80.12 |
| cLogP: | 4.87 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-be048f2c-1
0.859
MAT-POS-4223bc15-40
0.782
MAT-POS-4223bc15-41
0.743
MAT-POS-be048f2c-2
0.729
MAT-POS-4223bc15-37
0.721
MAT-POS-be048f2c-3
0.720
MAT-POS-4223bc15-19
0.697
RAL-THA-6e4c80cf-1
0.697
RAL-THA-6e4c80cf-2
0.689
MAT-POS-4223bc15-20
0.689
PET-UNK-9b23ef84-2
0.680
MAT-POS-dd3ad2b5-2
0.680
MAT-POS-4223bc15-38
0.673
MAT-POS-4223bc15-18
0.667
MAT-POS-4223bc15-36
0.664
MAT-POS-dd3ad2b5-3
0.663
MAT-POS-dd3ad2b5-5
0.660
MAT-POS-4223bc15-39
0.655
MAT-POS-4223bc15-35
0.648
MAT-POS-4223bc15-17
0.644
MAT-POS-4223bc15-33
0.636
RAL-THA-6e4c80cf-3
0.632
RAL-THA-6e4c80cf-4
0.628
MAT-POS-dd3ad2b5-1
0.627
BEN-DND-f2e727cd-6
0.627
VLA-UNK-5b0345c3-2
0.625
ALF-EVA-0e90125c-2
0.616
MAT-POS-4223bc15-6
0.613
ALF-EVA-0e90125c-1
0.613
MIC-UNK-482af05e-1
0.611
RAL-THA-ee48ba5f-5
0.607
EDJ-MED-c40d95bc-2
0.604
MAT-POS-4223bc15-21
0.604
MAT-UNK-35705829-1
0.600
MAT-POS-dd3ad2b5-4
0.600
MAT-POS-24589f88-2
0.600
MAT-POS-24589f88-3
0.600
MAT-UNK-f490e871-1
0.595
MIC-UNK-482af05e-2
0.593
MAT-POS-4223bc15-23
0.593
PET-UNK-d61f3ea6-2
0.593
MAT-POS-8293a91a-4
0.593
MAT-POS-8293a91a-5
0.593
MAT-POS-4223bc15-27
0.593
VLA-UNK-5b0345c3-1
0.592
MAT-POS-4223bc15-28
0.591
MAT-POS-4223bc15-7
0.591
MAT-POS-5cd9ea36-17
0.591
MAT-POS-4223bc15-34
0.589
MAT-POS-4223bc15-25
0.589
MAT-POS-61f37a1a-12
0.589
PET-UNK-162c14b2-1
0.589
RAL-THA-ee48ba5f-4
0.587
EDJ-MED-fa7708b3-1
0.586
RAL-THA-ee48ba5f-1
0.586
MAT-POS-4223bc15-3
0.583
EDJ-MED-e9a22d5d-1
0.583
MAT-POS-4223bc15-1
0.583
MAT-POS-4223bc15-22
0.582
MAT-POS-4223bc15-24
0.582
CLI-TLC-3a13eaf2-1
0.582
MAT-POS-4223bc15-2
0.578
MAT-POS-4223bc15-26
0.578
EDJ-MED-12c4873b-3
0.578
MAT-POS-bf364d7a-8
0.578
EDJ-MED-76744c27-4
0.578
MAT-POS-bf364d7a-7
0.578
ALF-EVA-07677224-7
0.578
RAL-THA-952697e1-1
0.575
MAT-POS-5cd9ea36-16
0.575
PET-UNK-d61f3ea6-3
0.575
EDJ-MED-12c4873b-7
0.575
RAL-THA-952697e1-2
0.575
XIA-UNK-284f966f-1
0.574
PET-UNK-94036022-1
0.574
PET-UNK-94036022-8
0.574
BRU-THA-d60fe444-1
0.573
MAT-POS-4223bc15-13
0.573
MAT-POS-777f5926-2
0.570
EDJ-MED-12c4873b-5
0.570
RAL-THA-952697e1-3
0.570
RAL-THA-952697e1-4
0.570
ANN-CHE-e1757302-4
0.569
MAT-POS-4223bc15-31
0.569
MAT-UNK-04ae9652-1
0.566
RAL-THA-ee48ba5f-2
0.566
MAT-POS-4223bc15-32
0.566
JOH-UNI-ededfdb6-1
0.566
EDJ-MED-76744c27-5
0.566
MAT-POS-4223bc15-9
0.566
PET-UNK-af70882d-3
0.566
PET-UNK-af70882d-4
0.566
MAT-POS-61f37a1a-2
0.566
MAT-POS-5cd9ea36-20
0.566
EDJ-MED-7f6e5b75-1
0.566
MAT-POS-dd1fff26-1
0.565
MAT-POS-dd1fff26-2
0.565
ANN-CHE-e1757302-2
0.565
MAT-POS-4223bc15-8
0.565
EDJ-MED-c82a5324-2
0.565