Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)CCNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 473.12 |
| Fraction sp3: | 0.3 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 97.39 |
| cLogP: | 3.18 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
EDJ-MED-f893e2a1-8
0.806
MAT-POS-e6dd326d-4
0.806
EDJ-MED-424a8a89-1
0.802
EDJ-MED-15e90dfc-3
0.802
EDJ-MED-8c98ee63-1
0.796
MAT-POS-e6dd326d-2
0.783
MAT-POS-45b13633-2
0.783
MAT-POS-e6dd326d-11
0.771
MAT-POS-e6dd326d-13
0.765
MAT-POS-e6dd326d-10
0.765
RAL-THA-e002e396-1
0.758
MAT-POS-e6dd326d-5
0.755
MAT-POS-e6dd326d-9
0.750
EDJ-MED-424a8a89-2
0.742
EDJ-MED-f893e2a1-3
0.740
MAT-POS-e6dd326d-12
0.735
KAD-UNI-b13decd3-11
0.730
EDJ-MED-f893e2a1-4
0.728
EDJ-MED-f893e2a1-10
0.728
MAT-POS-e6dd326d-6
0.727
KAD-UNI-b13decd3-3
0.724
MAT-POS-24589f88-12
0.724
KAD-UNI-cb0f2bbc-22
0.724
MAT-POS-61f37a1a-3
0.724
KAD-UNI-b13decd3-9
0.722
RAL-THA-e002e396-2
0.722
RAL-THA-58fba2bc-3
0.719
EDG-MED-971238d3-3
0.719
MAT-POS-e6dd326d-8
0.717
DAR-DIA-6a508060-13
0.713
EDJ-MED-f893e2a1-6
0.708
EDJ-MED-8c98ee63-2
0.708
EDJ-MED-4c7486ba-1
0.706
EDG-MED-70ae9412-2
0.706
MAT-POS-e6dd326d-7
0.706
EDJ-MED-4c7486ba-4
0.706
MAT-POS-9db1e783-2
0.705
EDG-MED-971238d3-2
0.705
EDJ-MED-f893e2a1-2
0.705
EDJ-MED-15e90dfc-4
0.705
EDJ-MED-f893e2a1-1
0.705
EDJ-MED-15e90dfc-1
0.705
RAL-THA-e002e396-11
0.704
RAL-THA-e002e396-8
0.703
RAL-THA-e002e396-5
0.700
EDJ-MED-40433386-4
0.699
MAT-POS-45b13633-1
0.698
MAT-POS-2bb0cf2b-1
0.698
MAT-POS-e6dd326d-1
0.698
EDG-MED-971238d3-5
0.698
RAL-THA-e002e396-6
0.697
EDJ-MED-40433386-10
0.696
DAR-DIA-ecdbc7dd-16
0.696
MAT-POS-45b13633-3
0.694
MAT-POS-e6dd326d-3
0.694
KAD-UNI-cb0f2bbc-23
0.694
MAT-POS-24589f88-13
0.694
MAT-POS-7174c657-1
0.694
RAL-THA-e002e396-7
0.693
EDJ-MED-f893e2a1-7
0.692
EDJ-MED-15e90dfc-6
0.692
KAD-UNI-cb0f2bbc-15
0.691
MAT-POS-e6dd326d-14
0.689
EDJ-MED-40433386-7
0.686
EDJ-MED-4c7486ba-12
0.686
MAT-POS-3b97339c-1
0.686
EDJ-MED-4c7486ba-9
0.686
EDJ-MED-40433386-3
0.686
KAD-UNI-b13decd3-4
0.685
MAT-POS-24589f88-9
0.685
MAT-POS-7174c657-4
0.685
MAT-POS-45b13633-4
0.684
EDG-MED-971238d3-6
0.684
EDG-MED-971238d3-10
0.684
RAL-THA-58fba2bc-1
0.684
EDG-MED-971238d3-9
0.684
JAG-UCB-706446eb-3
0.684
EDJ-MED-15e90dfc-5
0.683
EDJ-MED-f893e2a1-9
0.683
ALP-UNI-0676e700-29
0.682
MAT-POS-f9802937-5
0.680
MAT-POS-f9802937-6
0.680
EDG-MED-971238d3-7
0.680
EDG-MED-971238d3-8
0.680
MAT-POS-5d65ec79-2
0.680
DAR-DIA-ecdbc7dd-13
0.677
EDJ-MED-15e90dfc-2
0.676
MAT-POS-5d65ec79-1
0.673
MAT-POS-f9802937-3
0.673
EDJ-MED-28ec730d-2
0.673
MAT-POS-45b13633-5
0.673
MAT-POS-f9802937-4
0.673
DAR-DIA-ecdbc7dd-2
0.673
EDJ-MED-28ec730d-1
0.670
RAL-THA-e002e396-12
0.667
EDJ-MED-6d9ff7d0-9
0.667
ALP-POS-477dc5b7-3
0.667
KAD-UNI-b13decd3-6
0.664
MAT-POS-5f1400cf-2
0.664
EDJ-MED-40433386-5
0.664