Molecular Properties | |
SMILES: | NC(=O)[C@]12CO[C@](CNC(=O)C[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)(C1)C2 |
MW: | 534.17 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 132.64 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
KAD-UNI-80f122c8-1
1.000
KAD-UNI-8a629cb0-2
1.000
MAT-POS-f9802937-5
0.724
MAT-POS-f9802937-6
0.724
MAT-POS-5d65ec79-2
0.724
ALP-UNI-3496895b-16
0.690
ALP-UNI-8e43a71e-16
0.690
RAL-THA-58fba2bc-1
0.679
MAT-POS-45b13633-4
0.679
EDG-MED-971238d3-10
0.679
KAD-UNI-8a629cb0-46
0.669
EDJ-MED-d203f206-1
0.661
CHO-MSK-a31cca77-1
0.661
EDJ-MED-d203f206-20
0.661
MAT-POS-f9802937-3
0.655
MAT-POS-f9802937-4
0.655
MAT-POS-45b13633-5
0.655
MAT-POS-5d65ec79-1
0.655
ALP-POS-67d5babe-2
0.653
EDJ-MED-d203f206-34
0.650
EDJ-MED-d203f206-7
0.650
CHO-MSK-a31cca77-4
0.647
EDJ-MED-d203f206-2
0.647
CHO-MSK-a31cca77-3
0.644
EDJ-MED-d203f206-18
0.644
JAG-UCB-706446eb-6
0.641
CHO-MSK-a31cca77-2
0.639
EDJ-MED-d203f206-13
0.636
EDJ-MED-d203f206-12
0.633
JAG-UCB-706446eb-7
0.633
MAT-POS-e6dd326d-9
0.631
EDG-MED-ba1ac7b9-1
0.630
EDG-MED-971238d3-5
0.630
MAT-POS-2bb0cf2b-1
0.630
MAT-POS-e6dd326d-1
0.630
MAT-POS-45b13633-1
0.630
KAD-UNI-8a629cb0-42
0.625
ALP-POS-2da19ca7-8
0.624
MAT-POS-45b13633-2
0.624
MAT-POS-e6dd326d-2
0.624
EDG-MED-ba1ac7b9-2
0.622
MAT-POS-9db1e783-2
0.620
EDG-MED-971238d3-2
0.620
EDJ-MED-d203f206-29
0.620
EDG-MED-971238d3-6
0.618
RAL-THA-e002e396-6
0.616
MAT-POS-e6dd326d-6
0.614
EDJ-MED-d203f206-11
0.613
EDG-MED-70ae9412-2
0.612
EDJ-MED-4c7486ba-1
0.612
EDJ-MED-4c7486ba-4
0.612
MAT-POS-78e1d523-2
0.611
EDG-MED-ba1ac7b9-6
0.608
RAL-THA-e002e396-1
0.607
RAL-THA-e002e396-11
0.607
RAL-THA-e002e396-2
0.607
MAT-POS-e6dd326d-8
0.605
MAT-POS-e6dd326d-12
0.605
EDG-MED-ba1ac7b9-3
0.605
EDG-MED-971238d3-3
0.604
RAL-THA-58fba2bc-3
0.604
EDG-MED-971238d3-9
0.604
JAG-UCB-706446eb-3
0.604
EDJ-MED-40433386-10
0.603
DAR-DIA-ecdbc7dd-4
0.602
MAT-POS-e6dd326d-4
0.602
EDG-MED-971238d3-7
0.602
EDJ-MED-f893e2a1-8
0.602
ALP-UNI-76695c4f-6
0.602
EDJ-MED-d203f206-22
0.602
EDJ-MED-d203f206-41
0.602
ALP-UNI-3496895b-3
0.602
KAD-UNI-80f122c8-2
0.602
KAD-UNI-8a629cb0-10
0.602
ALP-UNI-8e43a71e-3
0.602
KAD-UNI-8a629cb0-23
0.602
EDJ-MED-d203f206-4
0.602
EDJ-MED-d203f206-17
0.602
ALP-UNI-8e43a71e-15
0.602
ALP-UNI-3496895b-15
0.602
EDJ-MED-d203f206-33
0.600
EDG-MED-ba1ac7b9-8
0.600
EDJ-MED-d203f206-39
0.600
EDJ-MED-d203f206-8
0.600
RAL-THA-e002e396-7
0.600
EDJ-MED-d203f206-19
0.598
EDG-MED-ba1ac7b9-13
0.598
MAT-POS-e6dd326d-7
0.598
MAT-POS-45b13633-3
0.598
MAT-POS-e6dd326d-3
0.598
DAR-DIA-ecdbc7dd-13
0.598
EDJ-MED-d203f206-31
0.597
EDJ-MED-424a8a89-2
0.596
EDJ-MED-d203f206-36
0.595
EDJ-MED-d203f206-23
0.595
RAL-THA-e002e396-8
0.595
MAT-POS-e6dd326d-5
0.595
EDJ-MED-d203f206-30
0.592
EDJ-MED-d203f206-38
0.592
EDJ-MED-40433386-5
0.592