MMsINC Database Search


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MMsINC code: MMs01742478

Type: Neutral
Formula: C₂₀H₁₈O₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)c1c2c(cccc2O)c(OC)cc1

InChI:

InChI=1/C20H18O5/c1-23-16-10-8-14(19-13(16)5-4-6-15(19)21)20(22)12-7-9-17(24-2)18(11-12)25-3/h4-11,21H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.476 kcal/mol

Physical Properties
Molecular Weight: 338.359 g/mol	logS: -5.12476	SlogP: 3.8022	Reactive groups: 0

Topological Properties
Globularity: 0.203255	Sterimol/B1: 2.78735	Sterimol/B2: 4.27801	Sterimol/B3: 5.24469
Sterimol/B4: 7.09563	Sterimol/L: 15.8609

Surface and Volume Properties
Accessible surface: 579.052	Positive charged surface: 417.017	Negative charged surface: 154.286	Volume: 319.25
Hydrophobic surface: 503.995	Hydrophilic surface: 75.057

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.