Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N[C@@H]1CCCNC1=O |
MW: | 492.16 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 109.42 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-d203f206-29
0.894
MAT-POS-f9802937-6
0.701
MAT-POS-5d65ec79-2
0.701
MAT-POS-f9802937-5
0.701
EDJ-MED-fcba3f31-1
0.701
JAG-UCB-706446eb-7
0.698
EDJ-MED-d203f206-7
0.687
EDJ-MED-d203f206-34
0.687
ALP-UNI-3496895b-4
0.683
ALP-UNI-8e43a71e-4
0.683
EDG-MED-971238d3-10
0.673
RAL-THA-58fba2bc-1
0.673
MAT-POS-45b13633-4
0.673
ALP-UNI-3496895b-12
0.667
ALP-UNI-8e43a71e-12
0.667
JAG-UCB-706446eb-6
0.664
CHO-MSK-a31cca77-4
0.655
EDJ-MED-d203f206-20
0.655
EDJ-MED-d203f206-2
0.655
CHO-MSK-a31cca77-3
0.653
EDJ-MED-fcba3f31-7
0.653
EDJ-MED-d203f206-18
0.653
MAT-POS-f9802937-3
0.649
MAT-POS-5d65ec79-1
0.649
MAT-POS-45b13633-5
0.649
MAT-POS-f9802937-4
0.649
EDJ-MED-d203f206-13
0.644
EDJ-MED-d203f206-12
0.642
EDJ-MED-d203f206-1
0.641
CHO-MSK-a31cca77-1
0.641
EDJ-MED-d203f206-28
0.641
KAD-UNI-8a629cb0-46
0.636
CHO-MSK-a31cca77-2
0.633
RAL-THA-e002e396-11
0.631
ALP-POS-2da19ca7-7
0.630
ALP-UNI-3496895b-5
0.630
ALP-UNI-8e43a71e-5
0.630
ALP-POS-5bb456a5-2
0.630
ALP-POS-5bb456a5-1
0.630
EDG-MED-ba1ac7b9-3
0.627
ALP-POS-2da19ca7-5
0.624
ALP-POS-5bb456a5-5
0.624
ALP-POS-5bb456a5-6
0.624
EDJ-MED-d203f206-26
0.623
EDJ-MED-d203f206-43
0.623
EDJ-MED-d203f206-35
0.622
EDJ-MED-d203f206-4
0.622
ALP-UNI-3496895b-15
0.622
ALP-UNI-8e43a71e-15
0.622
KAD-UNI-8a629cb0-23
0.622
EDG-MED-ba1ac7b9-8
0.622
EDJ-MED-d203f206-11
0.621
ALP-POS-67d5babe-2
0.621
EDJ-MED-d203f206-19
0.620
EDJ-MED-fcba3f31-6
0.618
EDG-MED-ba1ac7b9-2
0.617
ALP-UNI-3496895b-16
0.615
ALP-UNI-8e43a71e-16
0.615
EDG-MED-971238d3-2
0.615
MAT-POS-9db1e783-2
0.615
EDG-MED-ba1ac7b9-1
0.612
DAR-DIA-ecdbc7dd-4
0.611
EDJ-MED-d203f206-41
0.610
EDJ-MED-d203f206-22
0.610
MAT-POS-45b13633-1
0.609
MAT-POS-2bb0cf2b-1
0.609
MAT-POS-e6dd326d-1
0.609
EDG-MED-971238d3-5
0.609
DAR-DIA-ecdbc7dd-13
0.607
ALP-UNI-76695c4f-10
0.607
KAD-UNI-8a629cb0-42
0.607
EDG-MED-ba1ac7b9-13
0.607
KAD-UNI-8a629cb0-31
0.607
ALP-POS-2da19ca7-8
0.606
MAT-POS-78e1d523-2
0.605
MAT-POS-45b13633-2
0.604
MAT-POS-e6dd326d-2
0.604
RAL-THA-e002e396-8
0.603
EDJ-MED-d203f206-40
0.603
EDJ-MED-d203f206-42
0.603
RAL-THA-e002e396-2
0.602
RAL-THA-e002e396-1
0.602
EDG-MED-ba1ac7b9-17
0.602
ALP-POS-477dc5b7-3
0.600
EDJ-MED-fcba3f31-8
0.600
EDJ-MED-40433386-5
0.600
DAR-DIA-ecdbc7dd-3
0.600
EDJ-MED-d203f206-30
0.600
KAD-UNI-80f122c8-4
0.598
KAD-UNI-8a629cb0-15
0.598
ALP-UNI-76695c4f-7
0.598
ALP-UNI-8e43a71e-6
0.598
ALP-UNI-3496895b-6
0.598
EDG-MED-ba1ac7b9-7
0.598
DAR-DIA-ecdbc7dd-16
0.598
EDG-MED-971238d3-9
0.598
JAG-UCB-706446eb-3
0.598
EDG-MED-971238d3-3
0.598
EDG-MED-971238d3-6
0.598
RAL-THA-58fba2bc-3
0.598