Molecular Properties | |
SMILES: | N#C[C@]1(CNCC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CCOC1 |
MW: | 476.16 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 96.27 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-e6dd326d-11
0.750
EDJ-MED-f893e2a1-8
0.747
EDJ-MED-40433386-8
0.738
EDJ-MED-f893e2a1-3
0.738
MAT-POS-e6dd326d-10
0.728
MAT-POS-e6dd326d-13
0.728
EDJ-MED-f893e2a1-10
0.726
MAT-POS-45b13633-2
0.724
MAT-POS-e6dd326d-2
0.724
EDJ-MED-424a8a89-1
0.712
EDJ-MED-15e90dfc-3
0.712
EDJ-MED-f893e2a1-4
0.710
EDJ-MED-8c98ee63-1
0.708
EDJ-MED-15e90dfc-7
0.705
EDJ-MED-15e90dfc-4
0.704
MAT-POS-e6dd326d-12
0.699
MAT-POS-e6dd326d-4
0.696
MAT-POS-e6dd326d-9
0.696
EDJ-MED-15e90dfc-6
0.691
EDJ-MED-424a8a89-2
0.689
EDG-MED-971238d3-3
0.683
RAL-THA-58fba2bc-3
0.683
MAT-POS-e6dd326d-8
0.683
EDJ-MED-40433386-4
0.682
EDJ-MED-40433386-10
0.679
KAD-UNI-8a629cb0-41
0.679
ALP-UNI-0676e700-19
0.679
MAT-POS-e6dd326d-6
0.676
EDJ-MED-8c98ee63-2
0.676
EDJ-MED-15e90dfc-1
0.673
EDJ-MED-f893e2a1-1
0.673
EDG-MED-971238d3-2
0.670
MAT-POS-9db1e783-2
0.670
MAT-POS-e6dd326d-5
0.670
EDG-MED-971238d3-6
0.667
EDJ-MED-f893e2a1-9
0.667
EDG-MED-971238d3-9
0.667
JAG-UCB-706446eb-3
0.667
DAR-DIA-ecdbc7dd-16
0.664
MAT-POS-45b13633-1
0.663
MAT-POS-e6dd326d-1
0.663
MAT-POS-2bb0cf2b-1
0.663
EDG-MED-971238d3-5
0.663
EDJ-MED-f893e2a1-6
0.661
EDJ-MED-f893e2a1-7
0.661
KAD-UNI-cb0f2bbc-22
0.661
KAD-UNI-b13decd3-3
0.661
MAT-POS-61f37a1a-3
0.661
MAT-POS-24589f88-12
0.661
EDG-MED-70ae9412-2
0.657
MAT-POS-e6dd326d-7
0.657
EDJ-MED-4c7486ba-1
0.657
EDJ-MED-4c7486ba-4
0.657
MAT-POS-3b97339c-1
0.655
EDJ-MED-40433386-3
0.655
EDJ-MED-4c7486ba-12
0.655
EDJ-MED-4c7486ba-9
0.655
EDJ-MED-40433386-7
0.655
RAL-THA-e002e396-2
0.654
RAL-THA-e002e396-11
0.654
RAL-THA-e002e396-1
0.654
EDJ-MED-15e90dfc-5
0.651
ALP-POS-477dc5b7-3
0.651
RAL-THA-58fba2bc-1
0.650
MAT-POS-45b13633-4
0.650
EDG-MED-971238d3-10
0.650
EDG-MED-971238d3-7
0.648
EDG-MED-971238d3-8
0.648
KAD-UNI-cb0f2bbc-18
0.647
MAT-POS-61f37a1a-9
0.647
EDJ-MED-15e90dfc-2
0.645
DAR-DIA-ecdbc7dd-13
0.644
MAT-POS-e6dd326d-3
0.644
MAT-POS-45b13633-3
0.644
EDJ-MED-28ec730d-2
0.642
RAL-THA-e002e396-8
0.639
KAD-UNI-cb0f2bbc-23
0.636
MAT-POS-5f1400cf-2
0.636
KAD-UNI-b13decd3-6
0.636
MAT-POS-7174c657-1
0.636
MAT-POS-24589f88-13
0.636
EDJ-MED-40433386-5
0.634
KAD-UNI-cb0f2bbc-20
0.633
KAD-UNI-b13decd3-1
0.633
MAT-POS-5f1400cf-1
0.633
DAR-DIA-6a508060-13
0.633
JAG-UCB-706446eb-2
0.633
KAD-UNI-b13decd3-9
0.632
KAD-UNI-cb0f2bbc-15
0.632
RAL-THA-e002e396-6
0.632
MAT-POS-f9802937-5
0.632
MAT-POS-5d65ec79-2
0.632
MAT-POS-f9802937-6
0.632
DAR-DIA-ecdbc7dd-4
0.632
KAD-UNI-cb0f2bbc-2
0.630
EDG-MED-ba1ac7b9-8
0.628
MAT-POS-e6dd326d-14
0.628
KAD-UNI-b13decd3-4
0.627
KAD-UNI-b13decd3-12
0.627
MAT-POS-7174c657-4
0.627