Molecular Properties | |
SMILES: | Cc1nc2ncc(C(=O)NC[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)c(=O)n2[nH]1 |
MW: | 543.14 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 143.37 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-0676e700-22
0.765
KAD-UNI-8a629cb0-45
0.765
ALP-UNI-0676e700-28
0.677
MAT-POS-e6dd326d-9
0.673
ALP-UNI-0676e700-26
0.667
MAT-POS-e6dd326d-12
0.661
EDJ-MED-40433386-2
0.643
EDJ-MED-4c7486ba-8
0.643
MAT-POS-3b97339c-3
0.643
EDJ-MED-4c7486ba-11
0.643
MAT-POS-e6dd326d-6
0.641
ALP-UNI-0676e700-3
0.640
MAT-POS-e6dd326d-7
0.639
MAT-POS-e6dd326d-2
0.637
MAT-POS-45b13633-2
0.637
ALP-UNI-0676e700-29
0.635
MAT-POS-e6dd326d-8
0.632
ALP-UNI-0676e700-11
0.632
EDJ-MED-4c7486ba-4
0.625
EDJ-MED-4c7486ba-1
0.625
EDG-MED-70ae9412-2
0.625
ALP-UNI-0676e700-20
0.618
EDJ-MED-40433386-10
0.617
DAR-DIA-ecdbc7dd-16
0.617
EDJ-MED-f893e2a1-8
0.615
MAT-POS-e6dd326d-4
0.615
EDJ-MED-424a8a89-2
0.610
ALP-UNI-0676e700-25
0.609
EDJ-MED-40433386-4
0.607
ALP-UNI-0676e700-13
0.605
ALP-UNI-0676e700-21
0.605
EDJ-MED-424a8a89-1
0.603
EDJ-MED-15e90dfc-3
0.603
ALP-UNI-0676e700-6
0.603
ALP-UNI-0676e700-12
0.603
EDJ-MED-15e90dfc-2
0.602
MAT-POS-e6dd326d-14
0.600
ALP-UNI-0676e700-15
0.600
ALP-UNI-0676e700-17
0.598
EDJ-MED-4c7486ba-3
0.598
EDJ-MED-4c7486ba-6
0.598
ALP-UNI-0676e700-27
0.597
ALP-UNI-0676e700-23
0.597
EDJ-MED-40433386-3
0.597
MAT-POS-3b97339c-1
0.597
EDJ-MED-4c7486ba-9
0.597
EDJ-MED-4c7486ba-12
0.597
EDJ-MED-40433386-7
0.597
ALP-UNI-0676e700-10
0.595
MAT-POS-e6dd326d-5
0.595
EDJ-MED-15e90dfc-5
0.593
ALP-UNI-0676e700-14
0.593
EDJ-MED-40433386-5
0.592
MAT-POS-e6dd326d-11
0.592
EDJ-MED-40433386-8
0.591
MAT-POS-e6dd326d-10
0.590
MAT-POS-e6dd326d-13
0.590
EDJ-MED-8c98ee63-1
0.589
EDJ-MED-4c7486ba-5
0.586
EDJ-MED-4c7486ba-2
0.586
EDG-MED-70ae9412-1
0.586
EDJ-MED-15e90dfc-7
0.585
EDJ-MED-28ec730d-2
0.583
ALP-UNI-0676e700-5
0.582
ALP-UNI-0676e700-9
0.582
ALP-UNI-0676e700-19
0.581
KAD-UNI-8a629cb0-41
0.581
ALP-UNI-0676e700-24
0.580
ALP-UNI-0676e700-4
0.579
EDJ-MED-f893e2a1-6
0.578
EDJ-MED-8c98ee63-2
0.578
EDG-MED-971238d3-2
0.578
MAT-POS-9db1e783-2
0.578
EDG-MED-971238d3-3
0.576
EDG-MED-971238d3-10
0.576
MAT-POS-45b13633-4
0.576
RAL-THA-58fba2bc-3
0.576
RAL-THA-58fba2bc-1
0.576
MAT-POS-5d65ec79-2
0.575
MAT-POS-f9802937-5
0.575
MAT-POS-f9802937-6
0.575
EDJ-MED-15e90dfc-1
0.575
EDJ-MED-15e90dfc-4
0.575
EDJ-MED-f893e2a1-1
0.575
MAT-POS-e6dd326d-1
0.573
EDG-MED-971238d3-5
0.573
MAT-POS-45b13633-1
0.573
MAT-POS-2bb0cf2b-1
0.573
EDJ-MED-f893e2a1-3
0.573
ALP-UNI-0676e700-30
0.571
DAR-DIA-ecdbc7dd-13
0.571
MAT-POS-45b13633-3
0.571
MAT-POS-e6dd326d-3
0.571
KAD-UNI-b13decd3-1
0.570
KAD-UNI-cb0f2bbc-20
0.570
MAT-POS-5f1400cf-1
0.570
MAT-POS-5d65ec79-1
0.570
MAT-POS-f9802937-3
0.570
MAT-POS-f9802937-4
0.570
ALP-UNI-0676e700-18
0.568