Molecular Properties | |
SMILES: | CN(CC1CCS(=O)(=O)C1)C(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 541.14 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 105.67 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
KAD-UNI-80f122c8-3
ALP-POS-67d5babe-2
0.733
MAT-POS-5d65ec79-1
0.726
MAT-POS-f9802937-3
0.726
MAT-POS-f9802937-4
0.726
EDG-MED-ba1ac7b9-6
0.687
MAT-POS-f9802937-6
0.685
MAT-POS-f9802937-5
0.685
MAT-POS-5d65ec79-2
0.685
EDG-MED-ba1ac7b9-8
0.678
EDG-MED-971238d3-10
0.673
MAT-POS-45b13633-4
0.673
RAL-THA-58fba2bc-1
0.673
EDG-MED-ba1ac7b9-3
0.670
MAT-POS-45b13633-5
0.664
EDG-MED-ba1ac7b9-30
0.653
EDG-MED-ba1ac7b9-24
0.636
MAT-POS-45b13633-3
0.636
MAT-POS-e6dd326d-3
0.636
EDG-MED-ba1ac7b9-16
0.634
MAT-POS-e6dd326d-2
0.633
MAT-POS-45b13633-2
0.633
EDJ-MED-d203f206-31
0.631
EDG-MED-ba1ac7b9-17
0.627
ALP-UNI-8e43a71e-9
0.626
KAD-UNI-8a629cb0-17
0.626
ALP-UNI-76695c4f-8
0.626
ALP-UNI-3496895b-9
0.626
KAD-UNI-80f122c8-5
0.626
EDJ-MED-d203f206-41
0.623
KAD-UNI-8a629cb0-7
0.622
ALP-UNI-76695c4f-4
0.622
KAD-UNI-80f122c8-3
0.622
EDG-MED-ba1ac7b9-29
0.621
EDJ-MED-d203f206-19
0.620
MAT-POS-e6dd326d-5
0.617
EDG-MED-ba1ac7b9-2
0.617
EDJ-MED-d203f206-34
0.617
RAL-THA-e002e396-2
0.616
RAL-THA-e002e396-1
0.616
MAT-POS-9db1e783-2
0.615
EDG-MED-971238d3-2
0.615
ALP-POS-477dc5b7-3
0.614
EDG-MED-ba1ac7b9-15
0.613
EDG-MED-971238d3-6
0.613
MAT-POS-e6dd326d-13
0.612
EDG-MED-ba1ac7b9-7
0.612
EDG-MED-ba1ac7b9-1
0.612
MAT-POS-e6dd326d-4
0.611
MAT-POS-e6dd326d-9
0.611
EDJ-MED-f893e2a1-8
0.611
EDG-MED-971238d3-5
0.609
MAT-POS-45b13633-1
0.609
MAT-POS-e6dd326d-1
0.609
MAT-POS-2bb0cf2b-1
0.609
RAL-THA-e002e396-7
0.609
MAT-POS-e6dd326d-6
0.609
EDJ-MED-d203f206-11
0.608
EDJ-MED-d203f206-8
0.608
EDG-MED-ba1ac7b9-28
0.608
EDG-MED-ba1ac7b9-13
0.607
EDJ-MED-424a8a89-2
0.605
RAL-THA-e002e396-8
0.603
EDJ-MED-d203f206-7
0.603
EDJ-MED-d203f206-5
0.603
EDJ-MED-d203f206-15
0.603
ALP-POS-67d5babe-4
0.603
ALP-UNI-3496895b-1
0.603
ALP-UNI-8e43a71e-1
0.603
RAL-THA-e002e396-11
0.602
EDJ-MED-d203f206-29
0.602
JAG-UCB-706446eb-7
0.602
ALP-UNI-0676e700-19
0.602
KAD-UNI-8a629cb0-41
0.602
CHO-MSK-a31cca77-4
0.600
EDJ-MED-d203f206-1
0.600
EDJ-MED-d203f206-2
0.600
EDJ-MED-d203f206-38
0.600
MAT-POS-e6dd326d-12
0.600
CHO-MSK-a31cca77-1
0.600
JAG-UCB-706446eb-5
0.600
EDJ-MED-d203f206-20
0.600
RAL-THA-e002e396-5
0.600
RAL-THA-e002e396-12
0.600
CHO-MSK-a31cca77-3
0.598
EDJ-MED-d203f206-18
0.598
MIC-UNK-d58dbb53-3
0.598
DAR-DIA-ecdbc7dd-16
0.598
JAG-UCB-706446eb-3
0.598
EDG-MED-971238d3-3
0.598
RAL-THA-58fba2bc-3
0.598
EDG-MED-971238d3-9
0.598
KAD-UNI-80f122c8-2
0.597
ALP-UNI-3496895b-3
0.597
EDJ-MED-d203f206-26
0.597
KAD-UNI-8a629cb0-10
0.597
ALP-UNI-8e43a71e-3
0.597
EDJ-MED-d203f206-22
0.597
EDJ-MED-d203f206-43
0.597
ALP-UNI-76695c4f-6
0.597
RAL-THA-e002e396-6
0.596