MMsINC Database Search


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MMsINC code: MMs02369521

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

Oc1c(c2c(cc1O)cccc2)-c1c2c(cc(O)c1O)cccc2

InChI:

InChI=1/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.93 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -6.11922	SlogP: 4.4824	Reactive groups: 0

Topological Properties
Globularity: 0.347186	Sterimol/B1: 2.28309	Sterimol/B2: 2.71531	Sterimol/B3: 6.13453
Sterimol/B4: 6.45556	Sterimol/L: 12.8764

Surface and Volume Properties
Accessible surface: 525.492	Positive charged surface: 292.581	Negative charged surface: 221.68	Volume: 292.125
Hydrophobic surface: 357.048	Hydrophilic surface: 168.444

Pharmacophoric Properties
Hydrogen bond donors: 4	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.