MMsINC Database Search


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MMsINC code: MMs02155157

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(c1ncccc1NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C20H18N2O4/c1-24-15-7-5-14(6-8-15)19(23)22-18-4-3-13-21-20(18)26-17-11-9-16(25-2)10-12-17/h3-13H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.759 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -4.29146	SlogP: 4.1434	Reactive groups: 0

Topological Properties
Globularity: 0.0320773	Sterimol/B1: 2.01624	Sterimol/B2: 2.88641	Sterimol/B3: 4.05861
Sterimol/B4: 9.75053	Sterimol/L: 18.7521

Surface and Volume Properties
Accessible surface: 630.849	Positive charged surface: 432.892	Negative charged surface: 197.956	Volume: 333.25
Hydrophobic surface: 567.068	Hydrophilic surface: 63.781

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.