Molecule Details
| Molecular Properties | |
| SMILES: | CN1CCCC1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 448.17 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 4.05 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-dd3ad2b5-4
MAT-POS-4223bc15-17
0.747
MAT-POS-4223bc15-18
0.719
MAT-POS-dd3ad2b5-2
0.716
RAL-THA-6e4c80cf-1
0.716
PET-UNK-9b23ef84-2
0.716
MAT-POS-4223bc15-19
0.716
ALF-EVA-0e90125c-1
0.706
MAT-POS-dd3ad2b5-3
0.698
MAT-POS-dd3ad2b5-1
0.695
BEN-DND-f2e727cd-6
0.695
MAT-POS-dd3ad2b5-5
0.694
MAT-POS-4223bc15-35
0.680
MAT-POS-4223bc15-41
0.676
RAL-THA-6e4c80cf-2
0.673
MAT-POS-4223bc15-20
0.673
MAT-POS-4223bc15-37
0.657
MAT-POS-4223bc15-40
0.651
MAT-POS-4223bc15-33
0.650
MAT-POS-4223bc15-36
0.632
MAT-POS-dd3ad2b5-4
0.630
MAT-POS-24589f88-3
0.630
MAT-POS-24589f88-2
0.630
MAT-POS-4223bc15-38
0.626
MAT-POS-4223bc15-39
0.624
MAT-POS-4223bc15-28
0.619
MAT-POS-4223bc15-21
0.618
PET-UNK-162c14b2-1
0.618
EDJ-MED-c40d95bc-2
0.618
MAT-POS-61f37a1a-12
0.618
MAT-POS-be048f2c-4
0.616
MAT-POS-be048f2c-1
0.613
MAT-POS-be048f2c-3
0.613
MAT-POS-4223bc15-1
0.612
MAT-POS-4223bc15-3
0.612
EDJ-MED-e9a22d5d-1
0.612
MAT-POS-4223bc15-6
0.612
EDJ-MED-1981ceba-2
0.610
MIC-UNK-482af05e-1
0.610
VLA-UNK-5b0345c3-2
0.609
MAT-POS-be048f2c-2
0.607
MAT-POS-4223bc15-23
0.606
MAT-POS-4223bc15-27
0.606
PET-UNK-d61f3ea6-2
0.606
MAT-POS-8293a91a-4
0.606
MAT-POS-8293a91a-5
0.606
EDJ-MED-12c4873b-3
0.606
RAL-THA-ee48ba5f-5
0.606
MIC-UNK-482af05e-2
0.606
MAT-POS-4223bc15-2
0.606
MAT-POS-4223bc15-25
0.602
MAT-POS-4223bc15-34
0.602
MAT-POS-4223bc15-16
0.602
BRU-THA-98e973b9-1
0.600
MAT-POS-4223bc15-13
0.600
RAL-THA-6e4c80cf-4
0.598
MAT-POS-5cd9ea36-4
0.598
PET-UNK-d61f3ea6-1
0.598
EDJ-MED-1981ceba-5
0.596
BEN-DND-32596b04-2
0.596
BEN-DND-32596b04-7
0.594
CLI-TLC-3a13eaf2-1
0.594
MAT-POS-4223bc15-22
0.594
MAT-POS-4223bc15-24
0.594
MAT-POS-4223bc15-9
0.593
MAT-POS-61f37a1a-2
0.593
JOH-UNI-ededfdb6-1
0.593
MAT-POS-5cd9ea36-20
0.593
MAT-POS-5cd9ea36-3
0.593
MAT-POS-4223bc15-11
0.591
MAT-POS-4223bc15-26
0.590
MAT-POS-4223bc15-5
0.589
MAT-POS-5cd9ea36-2
0.589
MAT-POS-5cd9ea36-17
0.589
RAL-THA-6e4c80cf-3
0.588
PET-UNK-9b23ef84-14
0.587
PET-UNK-af70882d-2
0.587
BRU-THA-d60fe444-1
0.585
RAL-THA-ee48ba5f-4
0.585
MAT-POS-5cd9ea36-14
0.583
RAL-THA-ee48ba5f-1
0.583
DAR-DIA-d8bd013f-1
0.583
DAR-DIA-d8bd013f-3
0.583
EDJ-MED-76744c27-3
0.583
EDJ-MED-12c4873b-1
0.583
MAT-UNK-35705829-1
0.583
EDJ-MED-fa7708b3-1
0.583
MAT-POS-4223bc15-29
0.583
RAL-THA-952697e1-3
0.582
EDJ-MED-1981ceba-3
0.582
RAL-THA-952697e1-4
0.582
MAT-POS-777f5926-2
0.582
EDJ-MED-12c4873b-5
0.582
MAT-UNK-04ae9652-1
0.578
RAL-THA-ee48ba5f-2
0.578
PET-UNK-af70882d-3
0.578
PET-UNK-af70882d-4
0.578
EDJ-MED-76744c27-5
0.578
MAT-POS-5cd9ea36-13
0.578
MAT-POS-5cd9ea36-19
0.578
EDJ-MED-7f6e5b75-1
0.578