Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N[C@@H]1C[C@H]1CO |
MW: | 465.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 100.55 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-5d65ec79-2
0.758
MAT-POS-f9802937-5
0.758
MAT-POS-f9802937-6
0.758
EDJ-MED-d203f206-7
0.738
MAT-POS-45b13633-4
0.727
RAL-THA-58fba2bc-1
0.727
EDG-MED-971238d3-10
0.727
ALP-UNI-3496895b-15
0.722
ALP-UNI-8e43a71e-15
0.722
KAD-UNI-8a629cb0-23
0.722
EDJ-MED-d203f206-4
0.722
EDJ-MED-d203f206-29
0.718
JAG-UCB-706446eb-7
0.718
ALP-UNI-3496895b-5
0.716
ALP-POS-2da19ca7-7
0.716
ALP-POS-5bb456a5-1
0.716
ALP-UNI-8e43a71e-5
0.716
ALP-POS-5bb456a5-2
0.716
MAT-POS-5d65ec79-1
0.699
MAT-POS-f9802937-3
0.699
MAT-POS-f9802937-4
0.699
MAT-POS-45b13633-5
0.699
EDJ-MED-d203f206-13
0.691
CHO-MSK-a31cca77-4
0.688
EDJ-MED-d203f206-1
0.688
EDJ-MED-d203f206-20
0.688
EDJ-MED-d203f206-2
0.688
CHO-MSK-a31cca77-1
0.688
EDJ-MED-d203f206-23
0.687
JAG-UCB-706446eb-6
0.682
MAT-POS-9db1e783-2
0.680
EDG-MED-971238d3-2
0.680
EDJ-MED-d203f206-19
0.679
EDG-MED-ba1ac7b9-2
0.676
EDG-MED-ba1ac7b9-3
0.673
EDJ-MED-d203f206-12
0.673
EDJ-MED-d203f206-40
0.672
EDJ-MED-d203f206-18
0.670
CHO-MSK-a31cca77-3
0.670
CHO-MSK-a31cca77-2
0.664
EDG-MED-ba1ac7b9-13
0.664
KAD-UNI-8a629cb0-42
0.664
RAL-THA-e002e396-8
0.664
EDG-MED-971238d3-3
0.660
RAL-THA-58fba2bc-3
0.660
EDJ-MED-d203f206-42
0.658
ALP-UNI-3496895b-16
0.658
ALP-UNI-8e43a71e-16
0.658
MAT-POS-2bb0cf2b-1
0.657
EDG-MED-971238d3-5
0.657
MAT-POS-e6dd326d-1
0.657
MAT-POS-45b13633-1
0.657
EDG-MED-ba1ac7b9-1
0.655
KAD-UNI-80f122c8-2
0.652
EDJ-MED-d203f206-41
0.652
KAD-UNI-8a629cb0-46
0.652
KAD-UNI-8a629cb0-10
0.652
ALP-UNI-76695c4f-6
0.652
ALP-UNI-3496895b-3
0.652
ALP-UNI-8e43a71e-3
0.652
EDG-MED-ba1ac7b9-8
0.652
MAT-POS-78e1d523-2
0.651
MAT-POS-45b13633-2
0.650
MAT-POS-e6dd326d-2
0.650
KAD-UNI-8a629cb0-2
0.650
ALP-UNI-76695c4f-1
0.650
KAD-UNI-80f122c8-1
0.650
ALP-POS-67d5babe-2
0.650
EDJ-MED-d203f206-11
0.650
RAL-THA-e002e396-11
0.648
RAL-THA-e002e396-1
0.648
RAL-THA-e002e396-2
0.648
EDG-MED-971238d3-6
0.644
EDG-MED-971238d3-9
0.644
JAG-UCB-706446eb-3
0.644
EDJ-MED-d203f206-28
0.642
EDG-MED-971238d3-8
0.642
RAL-THA-e002e396-6
0.642
EDJ-MED-d203f206-38
0.641
EDJ-MED-d203f206-30
0.641
EDG-MED-ba1ac7b9-15
0.641
EDG-MED-ba1ac7b9-7
0.640
RAL-THA-e002e396-7
0.639
MAT-POS-e6dd326d-3
0.638
DAR-DIA-ecdbc7dd-13
0.638
MAT-POS-45b13633-3
0.638
EDJ-MED-d203f206-26
0.638
EDJ-MED-d203f206-22
0.638
EDJ-MED-d203f206-43
0.638
EDJ-MED-d203f206-33
0.636
EDJ-MED-28ec730d-2
0.636
ALP-POS-2da19ca7-8
0.633
ALP-UNI-8e43a71e-4
0.632
ALP-UNI-3496895b-4
0.632
EDG-MED-ba1ac7b9-6
0.632
RAL-THA-e002e396-5
0.630
MAT-POS-e6dd326d-11
0.630
ALP-POS-477dc5b7-3
0.630
RAL-THA-e002e396-12
0.630
MAT-POS-e6dd326d-13
0.627