MMsINC Database Search


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MMsINC code: MMs00104761

Type: Neutral
Formula: C₂₀H₁₈O₅

SMILES:

o1c2c(cc(OC(=O)c3ccccc3)cc2)c(C(OC(C)C)=O)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0453 kcal/mol

Physical Properties
Molecular Weight: 338.359 g/mol	logS: -6.29381	SlogP: 4.52562	Reactive groups: 0

Topological Properties
Globularity: 0.0657662	Sterimol/B1: 3.18424	Sterimol/B2: 4.04155	Sterimol/B3: 4.23955
Sterimol/B4: 8.07068	Sterimol/L: 16.1605

Surface and Volume Properties
Accessible surface: 620.856	Positive charged surface: 345.48	Negative charged surface: 269.509	Volume: 325.625
Hydrophobic surface: 509.295	Hydrophilic surface: 111.561

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.