Molecular Properties | |
SMILES: | Cn1c(=O)[nH]cc(NCC2(C(=O)Nc3cncc4ccccc34)CCOc3cc(Cl)ccc32)c1=O |
MW: | 491.14 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 118.11 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
NIR-THE-5be8b355-1
ALP-POS-a0a4abd7-2
0.725
ALP-POS-a0a4abd7-1
0.721
ALP-POS-a0a4abd7-4
0.719
ALP-POS-a0a4abd7-5
0.699
ALP-POS-6d96567b-1
0.612
EDJ-MED-f893e2a1-8
0.548
MAT-POS-e6dd326d-2
0.540
MAT-POS-45b13633-2
0.540
MAT-POS-e6dd326d-14
0.537
MAT-POS-e6dd326d-9
0.534
MAT-POS-e6dd326d-4
0.534
EDJ-MED-424a8a89-2
0.530
EDJ-MED-15e90dfc-5
0.529
MAT-POS-e6dd326d-11
0.525
MAT-POS-e6dd326d-10
0.525
MAT-POS-e6dd326d-6
0.521
EDJ-MED-15e90dfc-7
0.521
MAT-POS-61f37a1a-3
0.516
EDJ-MED-8c98ee63-2
0.516
KAD-UNI-cb0f2bbc-22
0.516
MAT-POS-e6dd326d-12
0.513
MAT-POS-e6dd326d-8
0.513
MAT-POS-e6dd326d-13
0.512
EDJ-MED-15e90dfc-3
0.512
EDJ-MED-424a8a89-1
0.512
EDJ-MED-15e90dfc-2
0.512
DAR-DIA-ecdbc7dd-13
0.504
MAT-POS-e6dd326d-5
0.504
EDJ-MED-f893e2a1-10
0.504
EDJ-MED-f893e2a1-7
0.504
EDJ-MED-f893e2a1-6
0.504
EDJ-MED-15e90dfc-6
0.504
ALP-UNI-0676e700-28
0.504
KAD-UNI-b13decd3-2
0.500
EDJ-MED-8c98ee63-1
0.500
KAD-UNI-cb0f2bbc-13
0.496
MAT-POS-61f37a1a-15
0.496
ALP-UNI-0676e700-26
0.496
MAT-POS-e6dd326d-7
0.496
EDJ-MED-4c7486ba-4
0.496
EDG-MED-70ae9412-2
0.496
DAR-DIA-ecdbc7dd-2
0.496
EDJ-MED-4c7486ba-1
0.496
EDJ-MED-f893e2a1-3
0.496
DAR-DIA-ecdbc7dd-4
0.496
EDG-MED-971238d3-9
0.496
JAG-UCB-706446eb-3
0.496
EDG-MED-971238d3-2
0.496
MAT-POS-9db1e783-2
0.496
EDJ-MED-40433386-5
0.492
EDJ-MED-f893e2a1-4
0.492
EDJ-MED-f893e2a1-9
0.492
MAT-POS-f9802937-4
0.492
MAT-POS-5d65ec79-1
0.492
MAT-POS-f9802937-3
0.492
MAT-POS-45b13633-3
0.492
MAT-POS-e6dd326d-3
0.492
EDG-MED-971238d3-5
0.491
MAT-POS-e6dd326d-1
0.491
MAT-POS-45b13633-1
0.491
MAT-POS-2bb0cf2b-1
0.491
KAD-UNI-cb0f2bbc-4
0.489
EDJ-MED-15e90dfc-1
0.488
EDJ-MED-f893e2a1-1
0.488
EDJ-MED-40433386-10
0.488
DAR-DIA-ecdbc7dd-16
0.488
ALP-POS-477dc5b7-3
0.488
DAR-DIA-ecdbc7dd-3
0.488
RAL-THA-e002e396-11
0.487
RAL-THA-e002e396-1
0.487
RAL-THA-e002e396-2
0.487
KAD-UNI-cb0f2bbc-2
0.485
KAD-UNI-cb0f2bbc-10
0.485
MAT-POS-61f37a1a-1
0.485
KAD-UNI-cb0f2bbc-15
0.485
KAD-UNI-b13decd3-9
0.485
EDJ-MED-4c7486ba-9
0.484
EDJ-MED-4c7486ba-12
0.484
MAT-POS-3b97339c-1
0.484
EDJ-MED-40433386-3
0.484
EDJ-MED-40433386-7
0.484
DAR-DIA-ecdbc7dd-18
0.484
RAL-THA-e002e396-7
0.484
MAT-POS-5d65ec79-2
0.483
MAT-POS-f9802937-5
0.483
MAT-POS-f9802937-6
0.483
RAL-THA-58fba2bc-3
0.483
EDG-MED-971238d3-3
0.483
RAL-THA-58fba2bc-1
0.483
EDG-MED-971238d3-6
0.483
EDG-MED-971238d3-10
0.483
MAT-POS-45b13633-4
0.483
ALP-UNI-0676e700-3
0.481
MAT-POS-24589f88-12
0.481
DAR-DIA-ecdbc7dd-1
0.481
KAD-UNI-b13decd3-3
0.481
EDJ-MED-40433386-4
0.480
DAR-DIA-ecdbc7dd-5
0.480
DAR-DIA-ecdbc7dd-11
0.480
EDJ-MED-28ec730d-2
0.479