MMsINC Database Search


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MMsINC code: MMs02091542

Type: Neutral
Formula: C₂₀H₂₀O₇

SMILES:

O1c2c(c(OC)c(OC)c(OC)c2)C(=O)C=C1c1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.807 kcal/mol

Physical Properties
Molecular Weight: 372.373 g/mol	logS: -4.80039	SlogP: 3.3458	Reactive groups: 1

Topological Properties
Globularity: 0.0260243	Sterimol/B1: 3.11678	Sterimol/B2: 3.4226	Sterimol/B3: 4.34804
Sterimol/B4: 7.04122	Sterimol/L: 18.4001

Surface and Volume Properties
Accessible surface: 630.68	Positive charged surface: 508.761	Negative charged surface: 121.92	Volume: 342.75
Hydrophobic surface: 565.068	Hydrophilic surface: 65.612

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.