MMsINC Database Search


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MMsINC code: MMs02092946

Type: Neutral
Formula: C₂₀H₁₈O₃

SMILES:

O(c1ccccc1CO)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C20H18O3/c21-14-17-8-4-5-9-20(17)23-19-12-10-18(11-13-19)22-15-16-6-2-1-3-7-16/h1-13,21H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1816 kcal/mol

Physical Properties
Molecular Weight: 306.361 g/mol	logS: -4.75689	SlogP: 5.083	Reactive groups: 0

Topological Properties
Globularity: 0.0325424	Sterimol/B1: 3.5465	Sterimol/B2: 3.65411	Sterimol/B3: 4.05111
Sterimol/B4: 4.47376	Sterimol/L: 18.7894

Surface and Volume Properties
Accessible surface: 590.11	Positive charged surface: 358.189	Negative charged surface: 231.922	Volume: 308.125
Hydrophobic surface: 524.107	Hydrophilic surface: 66.003

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.