MMsINC Database Search


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MMsINC code: MMs02556931

Type: Neutral
Formula: C₂₅H₂₀O₇

SMILES:

O1C=C(Oc2cc(ccc2)C)C(=O)c2c1cc(OC(=O)c1cc(OC)c(OC)cc1)cc2

InChI:

InChI=1/C25H20O7/c1-15-5-4-6-17(11-15)31-23-14-30-21-13-18(8-9-19(21)24(23)26)32-25(27)16-7-10-20(28-2)22(12-16)29-3/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.827 kcal/mol

Physical Properties
Molecular Weight: 432.428 g/mol	logS: -6.98927	SlogP: 4.72692	Reactive groups: 1

Topological Properties
Globularity: 0.0628215	Sterimol/B1: 2.27316	Sterimol/B2: 3.11185	Sterimol/B3: 6.5132
Sterimol/B4: 7.52859	Sterimol/L: 21.6813

Surface and Volume Properties
Accessible surface: 731.684	Positive charged surface: 461.7	Negative charged surface: 269.984	Volume: 396.5
Hydrophobic surface: 643.13	Hydrophilic surface: 88.554

Pharmacophoric Properties
Hydrogen bond donors: 0	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.