Molecular Properties | |
SMILES: | NC(=O)[C@H]1C[C@H]2C[C@@H](NC(=O)C[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)[C@H]2C1 |
MW: | 532.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 123.41 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-3496895b-15
1.000
ALP-UNI-8e43a71e-15
1.000
KAD-UNI-8a629cb0-23
1.000
KAD-UNI-8a629cb0-43
0.803
EDJ-MED-d203f206-34
0.722
MAT-POS-5d65ec79-2
0.676
MAT-POS-f9802937-5
0.676
MAT-POS-f9802937-6
0.676
EDJ-MED-d203f206-7
0.664
ALP-UNI-3496895b-5
0.661
ALP-POS-2da19ca7-7
0.661
ALP-UNI-8e43a71e-5
0.661
ALP-POS-5bb456a5-1
0.661
ALP-POS-5bb456a5-2
0.661
EDG-MED-971238d3-10
0.649
RAL-THA-58fba2bc-1
0.649
MAT-POS-45b13633-4
0.649
EDJ-MED-d203f206-29
0.648
JAG-UCB-706446eb-7
0.648
EDJ-MED-d203f206-1
0.633
CHO-MSK-a31cca77-1
0.633
EDJ-MED-d203f206-30
0.632
MAT-POS-5d65ec79-1
0.626
MAT-POS-45b13633-5
0.626
MAT-POS-f9802937-3
0.626
MAT-POS-f9802937-4
0.626
KAD-UNI-8a629cb0-42
0.626
EDJ-MED-d203f206-13
0.623
EDJ-MED-d203f206-23
0.622
EDJ-MED-d203f206-20
0.620
CHO-MSK-a31cca77-4
0.620
EDJ-MED-d203f206-2
0.620
EDG-MED-ba1ac7b9-1
0.618
CHO-MSK-a31cca77-3
0.618
EDJ-MED-d203f206-18
0.618
MAT-POS-2bb0cf2b-1
0.616
EDG-MED-971238d3-5
0.616
MAT-POS-e6dd326d-1
0.616
MAT-POS-45b13633-1
0.616
JAG-UCB-706446eb-6
0.615
EDJ-MED-d203f206-33
0.614
CHO-MSK-a31cca77-2
0.613
ALP-UNI-3496895b-16
0.608
EDJ-MED-d203f206-12
0.608
ALP-UNI-8e43a71e-16
0.608
EDG-MED-971238d3-6
0.605
KAD-UNI-8a629cb0-46
0.603
EDJ-MED-d203f206-22
0.603
ALP-UNI-76695c4f-1
0.602
KAD-UNI-8a629cb0-2
0.602
KAD-UNI-80f122c8-1
0.602
ALP-POS-67d5babe-2
0.602
EDJ-MED-d203f206-11
0.602
ALP-POS-2da19ca7-8
0.600
EDG-MED-ba1ac7b9-13
0.600
RAL-THA-e002e396-8
0.597
EDG-MED-ba1ac7b9-15
0.594
EDG-MED-ba1ac7b9-3
0.593
MAT-POS-9db1e783-2
0.593
EDG-MED-971238d3-2
0.593
ALP-UNI-3496895b-3
0.591
ALP-UNI-76695c4f-6
0.591
ALP-UNI-8e43a71e-3
0.591
KAD-UNI-80f122c8-2
0.591
EDJ-MED-d203f206-26
0.591
EDJ-MED-d203f206-43
0.591
KAD-UNI-8a629cb0-10
0.591
RAL-THA-e002e396-6
0.590
EDJ-MED-d203f206-8
0.589
EDG-MED-ba1ac7b9-8
0.589
EDJ-MED-d203f206-31
0.586
EDJ-MED-d203f206-28
0.585
MAT-POS-78e1d523-2
0.585
EDJ-MED-d203f206-42
0.585
EDG-MED-ba1ac7b9-2
0.584
MAT-POS-45b13633-2
0.583
MAT-POS-e6dd326d-2
0.583
RAL-THA-e002e396-1
0.581
RAL-THA-e002e396-2
0.581
RAL-THA-e002e396-11
0.581
EDG-MED-ba1ac7b9-7
0.579
EDJ-MED-d203f206-17
0.579
KAD-UNI-8a629cb0-7
0.579
ALP-UNI-76695c4f-4
0.579
KAD-UNI-80f122c8-3
0.579
RAL-THA-58fba2bc-3
0.578
JAG-UCB-706446eb-3
0.578
EDG-MED-971238d3-9
0.578
EDG-MED-971238d3-3
0.578
ALP-UNI-3496895b-4
0.577
ALP-UNI-8e43a71e-4
0.577
EDG-MED-971238d3-7
0.576
RAL-THA-e002e396-7
0.575
ALP-UNI-76695c4f-10
0.575
EDJ-MED-d203f206-19
0.575
KAD-UNI-8a629cb0-31
0.575
DAR-DIA-ecdbc7dd-13
0.573
MAT-POS-45b13633-3
0.573
MAT-POS-e6dd326d-3
0.573
ALP-POS-2da19ca7-1
0.573