MMsINC Database Search


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MMsINC code: MMs02178624

Type: Neutral
Formula: C₂₆H₁₈N₂O₄

SMILES:

O(C(=O)c1ccccc1)c1cc(N=Nc2cc(OC(=O)c3ccccc3)ccc2)ccc1

InChI:

InChI=1/C26H18N2O4/c29-25(19-9-3-1-4-10-19)31-23-15-7-13-21(17-23)27-28-22-14-8-16-24(18-22)32-26(30)20-11-5-2-6-12-20/h1-18H/b28-27-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.009 kcal/mol

Physical Properties
Molecular Weight: 422.44 g/mol	logS: -7.5058	SlogP: 6.5404	Reactive groups: 0

Topological Properties
Globularity: 0.025127	Sterimol/B1: 3.34316	Sterimol/B2: 4.41695	Sterimol/B3: 4.43601
Sterimol/B4: 4.50579	Sterimol/L: 23.8937

Surface and Volume Properties
Accessible surface: 719.044	Positive charged surface: 366.1	Negative charged surface: 352.944	Volume: 396.375
Hydrophobic surface: 660.663	Hydrophilic surface: 58.381

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.