Molecular Properties | |
SMILES: | CNS(=O)(=O)CCOC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 489.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 106.62 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
RAL-THA-e002e396-12
0.770
ALP-POS-9c80c481-1
0.757
MAT-POS-fc9ede84-1
0.743
RAL-THA-e002e396-11
0.740
EDJ-MED-fcba3f31-4
0.726
EDJ-MED-fcba3f31-5
0.726
RAL-THA-e002e396-5
0.718
EDJ-MED-fcba3f31-2
0.704
EDJ-MED-fcba3f31-3
0.691
RAL-THA-e002e396-13
0.689
EDJ-MED-fcba3f31-10
0.685
EDJ-MED-60df06f3-1
0.684
MAT-POS-45b13633-2
0.676
MAT-POS-e6dd326d-2
0.676
EDJ-MED-28ec730d-2
0.676
RAL-THA-e002e396-1
0.673
RAL-THA-e002e396-2
0.673
EDJ-MED-fcba3f31-6
0.670
EDJ-MED-00143744-1
0.670
LEE-CAM-7ab9b158-3
0.670
MAT-POS-f9802937-5
0.667
MAT-POS-e6dd326d-4
0.667
MAT-POS-f9802937-6
0.667
MAT-POS-5d65ec79-2
0.667
MAT-POS-45b13633-3
0.663
MAT-POS-e6dd326d-3
0.663
EDJ-MED-fcba3f31-12
0.661
EDJ-MED-fcba3f31-9
0.661
EDJ-MED-28ec730d-1
0.657
MAT-POS-9db1e783-2
0.657
EDG-MED-971238d3-2
0.657
EDG-MED-971238d3-3
0.654
RAL-THA-58fba2bc-3
0.654
EDG-MED-971238d3-9
0.654
JAG-UCB-706446eb-3
0.654
EDG-MED-971238d3-6
0.654
EDJ-MED-fcba3f31-8
0.652
DAR-DIA-6a508060-13
0.651
MAT-POS-e6dd326d-9
0.651
RAL-THA-e002e396-6
0.651
EDG-MED-971238d3-5
0.650
MAT-POS-2bb0cf2b-1
0.650
MAT-POS-e6dd326d-1
0.650
MAT-POS-45b13633-1
0.650
EDJ-MED-fcba3f31-7
0.649
RAL-THA-e002e396-7
0.648
EDJ-MED-15e90dfc-7
0.645
MAT-POS-f9802937-3
0.645
MAT-POS-f9802937-4
0.645
MAT-POS-45b13633-5
0.645
MAT-POS-5d65ec79-1
0.645
EDJ-MED-fcba3f31-11
0.644
RAL-THA-e002e396-8
0.642
MAT-POS-e6dd326d-5
0.642
ALP-POS-477dc5b7-3
0.639
MAT-POS-e6dd326d-12
0.639
RAL-THA-58fba2bc-1
0.638
MAT-POS-45b13633-4
0.638
EDG-MED-971238d3-10
0.638
JAG-UCB-706446eb-2
0.636
EDJ-MED-15e90dfc-3
0.636
EDJ-MED-424a8a89-1
0.636
JAG-UCB-706446eb-4
0.636
DAR-DIA-ecdbc7dd-4
0.636
EDG-MED-971238d3-7
0.636
EDG-MED-971238d3-8
0.636
EDJ-MED-f893e2a1-8
0.636
EDJ-MED-8c98ee63-1
0.634
MAT-POS-e6dd326d-6
0.633
LEE-CAM-7ab9b158-1
0.632
DAR-DIA-ecdbc7dd-13
0.632
RAL-THA-e002e396-3
0.631
EDJ-MED-424a8a89-2
0.630
EDJ-MED-fcba3f31-1
0.627
DAR-DIA-ecdbc7dd-3
0.624
MAT-POS-e6dd326d-10
0.622
MAT-POS-e6dd326d-13
0.622
JAG-UCB-706446eb-1
0.619
KAD-UNI-8a629cb0-36
0.617
DAR-DIA-ecdbc7dd-2
0.616
DAR-DIA-ecdbc7dd-18
0.616
MAT-POS-e6dd326d-7
0.616
EDG-MED-70ae9412-2
0.616
EDJ-MED-4c7486ba-1
0.616
EDJ-MED-4c7486ba-4
0.616
DAR-DIA-ecdbc7dd-11
0.613
LEE-CAM-7ab9b158-2
0.611
MAT-POS-e6dd326d-8
0.609
MAT-POS-e6dd326d-11
0.609
MAT-POS-7174c657-4
0.603
KAD-UNI-b13decd3-4
0.603
MAT-POS-24589f88-9
0.603
CHO-MSK-a31cca77-2
0.602
KAD-UNI-8a629cb0-44
0.602
JAG-UCB-706446eb-8
0.600
MAT-POS-78e1d523-2
0.600
VLA-UCB-05e51b3f-13
0.600
DAR-DIA-6a508060-9
0.600
VLA-UCB-50c39ae8-10
0.600
LEE-CAM-7ab9b158-4
0.598