Molecular Properties | |
SMILES: | C[C@]1(O)CCN(C(=O)CC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)C1 |
MW: | 493.18 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.76 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
KAD-UNI-8a629cb0-26
0.764
KAD-UNI-8a629cb0-39
0.764
EDG-MED-971238d3-6
0.747
EDG-MED-971238d3-9
0.730
JAG-UCB-706446eb-3
0.730
RAL-THA-58fba2bc-3
0.730
EDG-MED-971238d3-3
0.730
KAD-UNI-8a629cb0-16
0.723
EDG-MED-971238d3-7
0.709
EDG-MED-971238d3-8
0.709
JAG-UCB-706446eb-2
0.708
JAG-UCB-706446eb-4
0.708
EDJ-MED-28ec730d-2
0.702
EDJ-MED-28ec730d-1
0.698
KAD-UNI-8a629cb0-48
0.696
DAR-DIA-6a508060-13
0.692
KAD-UNI-8a629cb0-25
0.681
ALP-POS-477dc5b7-3
0.679
KAD-UNI-8a629cb0-14
0.675
JAG-UCB-706446eb-1
0.673
DAR-DIA-ecdbc7dd-13
0.657
DAR-DIA-ecdbc7dd-18
0.655
MAT-POS-45b13633-2
0.654
MAT-POS-e6dd326d-2
0.654
MAT-POS-9db1e783-2
0.650
EDG-MED-971238d3-2
0.650
MAT-POS-e6dd326d-9
0.645
DAR-DIA-ecdbc7dd-4
0.645
MAT-POS-e6dd326d-4
0.645
EDG-MED-971238d3-5
0.644
MAT-POS-2bb0cf2b-1
0.644
MAT-POS-45b13633-1
0.644
MAT-POS-e6dd326d-1
0.644
MAT-POS-45b13633-3
0.642
MAT-POS-e6dd326d-3
0.642
MAT-POS-e6dd326d-7
0.640
EDJ-MED-424a8a89-2
0.639
VLA-UCB-05e51b3f-13
0.637
DAR-DIA-6a508060-9
0.637
VLA-UCB-50c39ae8-10
0.637
DAR-DIA-ecdbc7dd-5
0.636
RAL-THA-e002e396-2
0.636
RAL-THA-e002e396-1
0.636
RAL-THA-e002e396-11
0.636
VLA-UCB-34f3ed0c-10
0.635
MAT-POS-e6dd326d-12
0.633
RAL-THA-e002e396-5
0.633
RAL-THA-e002e396-12
0.633
DAR-DIA-ecdbc7dd-3
0.633
EDG-MED-971238d3-10
0.632
MAT-POS-45b13633-4
0.632
RAL-THA-58fba2bc-1
0.632
MAT-POS-f9802937-5
0.630
MAT-POS-f9802937-6
0.630
MAT-POS-5d65ec79-2
0.630
EDJ-MED-f893e2a1-8
0.630
MAT-POS-e6dd326d-6
0.627
RAL-THA-e002e396-7
0.627
KAD-UNI-8a629cb0-36
0.625
EDJ-MED-d203f206-39
0.625
DAR-DIA-ecdbc7dd-2
0.625
ALP-UNI-76695c4f-10
0.624
KAD-UNI-8a629cb0-31
0.624
MAT-POS-f9802937-3
0.624
MAT-POS-f9802937-4
0.624
MAT-POS-45b13633-5
0.624
MAT-POS-5d65ec79-1
0.624
DAR-DIA-ecdbc7dd-11
0.622
MAT-POS-e6dd326d-5
0.622
EDJ-MED-d203f206-36
0.620
MAT-POS-e6dd326d-8
0.618
MAT-POS-e6dd326d-11
0.618
RAL-THA-e002e396-9
0.617
EDJ-MED-d203f206-9
0.617
KAD-UNI-8a629cb0-4
0.617
DAR-DIA-ecdbc7dd-16
0.616
EDG-MED-ba1ac7b9-7
0.615
KAD-UNI-8a629cb0-38
0.615
RAL-THA-e002e396-6
0.615
KAD-UNI-8a629cb0-47
0.612
EDJ-MED-4c7486ba-4
0.611
EDG-MED-70ae9412-2
0.611
EDJ-MED-15e90dfc-7
0.611
EDJ-MED-4c7486ba-1
0.611
ALP-POS-9c80c481-1
0.611
KAD-UNI-8a629cb0-35
0.610
KAD-UNI-8a629cb0-44
0.610
EDJ-MED-40433386-7
0.609
EDJ-MED-4c7486ba-9
0.609
EDJ-MED-40433386-3
0.609
EDJ-MED-4c7486ba-12
0.609
MAT-POS-3b97339c-1
0.609
KAD-UNI-8a629cb0-32
0.608
KAD-UNI-8a629cb0-24
0.603
KAD-UNI-8a629cb0-1
0.603
MAT-POS-e6dd326d-13
0.602
EDJ-MED-15e90dfc-3
0.602
MAT-POS-e6dd326d-10
0.602
EDJ-MED-424a8a89-1
0.602
EDJ-MED-40433386-10
0.602