Molecule Details
| Molecular Properties | |
| SMILES: | CCNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 395.14 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 63.25 |
| cLogP: | 4.16 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-e6dd326d-2
0.837
MAT-POS-45b13633-2
0.837
MAT-POS-e6dd326d-11
0.822
MAT-POS-e6dd326d-13
0.815
EDJ-MED-15e90dfc-3
0.815
EDJ-MED-424a8a89-1
0.815
MAT-POS-e6dd326d-10
0.815
EDJ-MED-15e90dfc-7
0.806
MAT-POS-e6dd326d-4
0.800
MAT-POS-e6dd326d-9
0.800
EDJ-MED-424a8a89-2
0.791
EDJ-MED-8c98ee63-1
0.789
EDJ-MED-f893e2a1-3
0.787
MAT-POS-e6dd326d-12
0.783
MAT-POS-e6dd326d-6
0.774
EDJ-MED-f893e2a1-10
0.773
MAT-POS-e6dd326d-7
0.768
MAT-POS-e6dd326d-5
0.766
MAT-POS-e6dd326d-8
0.763
EDJ-MED-f893e2a1-4
0.755
MAT-POS-9db1e783-2
0.753
EDG-MED-971238d3-2
0.753
EDJ-MED-8c98ee63-2
0.750
EDJ-MED-4c7486ba-1
0.750
EDJ-MED-4c7486ba-4
0.750
EDG-MED-70ae9412-2
0.750
RAL-THA-e002e396-2
0.750
RAL-THA-e002e396-11
0.750
EDJ-MED-f893e2a1-2
0.747
EDJ-MED-15e90dfc-1
0.747
EDJ-MED-15e90dfc-4
0.747
EDJ-MED-f893e2a1-1
0.747
EDG-MED-971238d3-3
0.747
RAL-THA-58fba2bc-3
0.747
MAT-POS-2bb0cf2b-1
0.744
MAT-POS-e6dd326d-1
0.744
EDG-MED-971238d3-5
0.744
MAT-POS-45b13633-1
0.744
EDJ-MED-40433386-4
0.742
EDJ-MED-40433386-10
0.740
DAR-DIA-ecdbc7dd-16
0.740
MAT-POS-45b13633-3
0.739
MAT-POS-e6dd326d-3
0.739
EDJ-MED-f893e2a1-6
0.733
EDJ-MED-f893e2a1-7
0.733
KAD-UNI-cb0f2bbc-22
0.733
EDJ-MED-15e90dfc-6
0.733
KAD-UNI-b13decd3-3
0.733
MAT-POS-24589f88-12
0.733
MAT-POS-61f37a1a-3
0.733
RAL-THA-e002e396-1
0.731
EDG-MED-971238d3-10
0.728
JAG-UCB-706446eb-3
0.728
EDG-MED-971238d3-6
0.728
RAL-THA-58fba2bc-1
0.728
MAT-POS-45b13633-4
0.728
EDG-MED-971238d3-9
0.728
RAL-THA-e002e396-12
0.726
EDJ-MED-15e90dfc-5
0.724
EDJ-MED-f893e2a1-9
0.724
MAT-POS-5d65ec79-2
0.723
MAT-POS-f9802937-6
0.723
MAT-POS-f9802937-5
0.723
JAG-UCB-706446eb-2
0.722
DAR-DIA-ecdbc7dd-13
0.720
EDJ-MED-15e90dfc-2
0.717
MAT-POS-5d65ec79-1
0.716
MAT-POS-f9802937-4
0.716
MAT-POS-f9802937-3
0.716
EDJ-MED-28ec730d-2
0.716
MAT-POS-45b13633-5
0.716
KAD-UNI-b13decd3-9
0.714
MAT-POS-e6dd326d-14
0.713
MAT-POS-3b97339c-1
0.710
EDJ-MED-40433386-7
0.710
EDJ-MED-40433386-3
0.710
EDJ-MED-4c7486ba-9
0.710
EDJ-MED-4c7486ba-12
0.710
DAR-DIA-ecdbc7dd-3
0.708
ALP-POS-477dc5b7-3
0.708
RAL-THA-e002e396-5
0.708
EDG-MED-971238d3-8
0.705
DAR-DIA-ecdbc7dd-4
0.705
EDG-MED-971238d3-7
0.705
RAL-THA-e002e396-6
0.705
DAR-DIA-6a508060-13
0.704
JAG-UCB-706446eb-4
0.704
EDJ-MED-40433386-5
0.703
RAL-THA-e002e396-7
0.701
MAT-POS-7174c657-1
0.701
MAT-POS-5f1400cf-2
0.701
KAD-UNI-cb0f2bbc-23
0.701
KAD-UNI-b13decd3-6
0.701
MAT-POS-24589f88-13
0.701
MAT-POS-61f37a1a-9
0.698
KAD-UNI-cb0f2bbc-18
0.698
KAD-UNI-cb0f2bbc-15
0.698
MAT-POS-61f37a1a-1
0.694
KAD-UNI-b13decd3-10
0.694
KAD-UNI-cb0f2bbc-10
0.694