MMsINC Database Search


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MMsINC code: MMs03493725

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(C)c1cc2c3c4cc(OC)c(OC)cc4ncc3cnc2cc1OC

InChI:

InChI=1/C20H18N2O4/c1-23-16-5-12-14(7-18(16)25-3)21-9-11-10-22-15-8-19(26-4)17(24-2)6-13(15)20(11)12/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.114 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -4.64136	SlogP: 3.9706	Reactive groups: 0

Topological Properties
Globularity: 0.0283605	Sterimol/B1: 2.36335	Sterimol/B2: 2.53601	Sterimol/B3: 4.0816
Sterimol/B4: 9.34341	Sterimol/L: 17.0906

Surface and Volume Properties
Accessible surface: 568.404	Positive charged surface: 449.497	Negative charged surface: 98.0368	Volume: 324
Hydrophobic surface: 490.581	Hydrophilic surface: 77.823

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.