MMsINC Database Search


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MMsINC code: MMs02676561

Type: Neutral
Formula: C₁₉H₁₈O₄

SMILES:

O1c2c(ccc(c2)COc2ccc(OC)cc2)C(=CC1=O)CC

InChI:

InChI=1/C19H18O4/c1-3-14-11-19(20)23-18-10-13(4-9-17(14)18)12-22-16-7-5-15(21-2)6-8-16/h4-11H,3,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5505 kcal/mol

Physical Properties
Molecular Weight: 310.349 g/mol	logS: -5.48528	SlogP: 4.253	Reactive groups: 0

Topological Properties
Globularity: 0.0489282	Sterimol/B1: 2.35238	Sterimol/B2: 3.54169	Sterimol/B3: 3.61521
Sterimol/B4: 7.15998	Sterimol/L: 18.3682

Surface and Volume Properties
Accessible surface: 576.958	Positive charged surface: 360.859	Negative charged surface: 216.099	Volume: 303.25
Hydrophobic surface: 466.99	Hydrophilic surface: 109.968

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.