MMsINC Database Search


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MMsINC code: MMs02190834

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O(C(=O)C)c1c2c3c4c(cc2)c(OC(=O)C)ccc4ccc3cc1

InChI:

InChI=1/C20H14O4/c1-11(21)23-17-9-5-13-3-4-14-6-10-18(24-12(2)22)16-8-7-15(17)19(13)20(14)16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.634 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -7.17706	SlogP: 4.4346	Reactive groups: 0

Topological Properties
Globularity: 0.0348839	Sterimol/B1: 2.32457	Sterimol/B2: 2.90541	Sterimol/B3: 3.63855
Sterimol/B4: 9.06962	Sterimol/L: 14.8232

Surface and Volume Properties
Accessible surface: 542.127	Positive charged surface: 275.533	Negative charged surface: 237.996	Volume: 299
Hydrophobic surface: 466.757	Hydrophilic surface: 75.37

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.