Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)NCc1ccc(=O)[nH]n1 |
MW: | 503.14 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 126.07 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-5d65ec79-2
0.728
MAT-POS-f9802937-5
0.728
MAT-POS-f9802937-6
0.728
MAT-POS-45b13633-4
0.699
EDG-MED-971238d3-10
0.699
RAL-THA-58fba2bc-1
0.699
ALP-UNI-8e43a71e-16
0.693
ALP-UNI-3496895b-16
0.693
MAT-POS-5d65ec79-1
0.689
MAT-POS-f9802937-3
0.689
MAT-POS-f9802937-4
0.689
JAG-UCB-706446eb-6
0.688
EDJ-MED-d203f206-12
0.678
MAT-POS-45b13633-5
0.673
ALP-UNI-76695c4f-1
0.669
KAD-UNI-8a629cb0-2
0.669
KAD-UNI-80f122c8-1
0.669
JAG-UCB-706446eb-7
0.664
EDJ-MED-d203f206-29
0.664
EDJ-MED-d203f206-1
0.664
EDJ-MED-d203f206-20
0.664
CHO-MSK-a31cca77-1
0.664
CHO-MSK-a31cca77-4
0.664
EDJ-MED-d203f206-2
0.664
ALP-POS-67d5babe-2
0.655
EDG-MED-971238d3-2
0.654
MAT-POS-9db1e783-2
0.654
EDJ-MED-d203f206-13
0.652
EDJ-MED-d203f206-7
0.652
EDJ-MED-d203f206-34
0.652
CHO-MSK-a31cca77-3
0.647
EDJ-MED-d203f206-18
0.647
ALP-UNI-76695c4f-10
0.641
CHO-MSK-a31cca77-2
0.641
KAD-UNI-8a629cb0-31
0.641
EDJ-MED-d203f206-23
0.636
MAT-POS-e6dd326d-1
0.632
MAT-POS-45b13633-1
0.632
MAT-POS-2bb0cf2b-1
0.632
EDG-MED-971238d3-5
0.632
DAR-DIA-ecdbc7dd-13
0.630
EDJ-MED-d203f206-11
0.628
MAT-POS-78e1d523-2
0.627
MAT-POS-e6dd326d-2
0.626
MAT-POS-45b13633-2
0.626
RAL-THA-e002e396-1
0.624
RAL-THA-e002e396-2
0.624
RAL-THA-e002e396-11
0.624
ALP-POS-2da19ca7-1
0.623
ALP-POS-5bb456a5-10
0.623
ALP-POS-5bb456a5-9
0.623
EDJ-MED-d203f206-28
0.622
MAT-POS-e6dd326d-12
0.622
EDG-MED-ba1ac7b9-3
0.621
RAL-THA-58fba2bc-3
0.620
JAG-UCB-706446eb-3
0.620
EDG-MED-971238d3-9
0.620
EDG-MED-971238d3-3
0.620
EDG-MED-971238d3-6
0.620
EDJ-MED-d203f206-37
0.619
MAT-POS-e6dd326d-9
0.618
RAL-THA-e002e396-6
0.618
JAG-UCB-706446eb-1
0.617
RAL-THA-e002e396-7
0.616
EDG-MED-ba1ac7b9-8
0.615
MAT-POS-45b13633-3
0.615
MAT-POS-e6dd326d-3
0.615
KAD-UNI-8a629cb0-42
0.613
ALP-POS-2da19ca7-8
0.613
ALP-UNI-3496895b-4
0.612
ALP-UNI-8e43a71e-4
0.612
RAL-THA-e002e396-8
0.611
EDJ-MED-fcba3f31-10
0.610
EDG-MED-ba1ac7b9-2
0.610
EDG-MED-ba1ac7b9-6
0.610
ALP-UNI-3496895b-12
0.609
ALP-UNI-8e43a71e-12
0.609
RAL-THA-e002e396-5
0.607
RAL-THA-e002e396-12
0.607
MAT-POS-e6dd326d-8
0.607
ALP-UNI-8e43a71e-9
0.607
ALP-UNI-3496895b-9
0.607
KAD-UNI-8a629cb0-17
0.607
KAD-UNI-80f122c8-5
0.607
ALP-UNI-3496895b-8
0.607
ALP-UNI-8e43a71e-8
0.607
ALP-UNI-76695c4f-8
0.607
JAG-UCB-706446eb-2
0.605
DAR-DIA-ecdbc7dd-16
0.605
EDG-MED-ba1ac7b9-1
0.605
EDG-MED-ba1ac7b9-7
0.605
ALP-POS-2da19ca7-5
0.605
ALP-POS-5bb456a5-5
0.605
ALP-POS-5bb456a5-6
0.605
EDG-MED-971238d3-7
0.604
EDG-MED-971238d3-8
0.604
DAR-DIA-ecdbc7dd-4
0.604
EDJ-MED-f893e2a1-8
0.604
MAT-POS-e6dd326d-4
0.604
MAT-POS-fc9ede84-1
0.603