MMsINC Database Search


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MMsINC code: MMs00410832

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

O(C(=O)c1ccccc1)c1ccc(cc1)\C=N\c1ccc(N=Nc2ccccc2)cc1

InChI:

InChI=1/C26H19N3O2/c30-26(21-7-3-1-4-8-21)31-25-17-11-20(12-18-25)19-27-22-13-15-24(16-14-22)29-28-23-9-5-2-6-10-23/h1-19H/b27-19+,29-28+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.857 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -7.31648	SlogP: 7.0718	Reactive groups: 0

Topological Properties
Globularity: 0.0107264	Sterimol/B1: 2.59709	Sterimol/B2: 3.96014	Sterimol/B3: 4.10014
Sterimol/B4: 4.83668	Sterimol/L: 26.4974

Surface and Volume Properties
Accessible surface: 749.625	Positive charged surface: 403.6	Negative charged surface: 346.025	Volume: 396.25
Hydrophobic surface: 701.805	Hydrophilic surface: 47.82

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.