MMsINC Database Search


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MMsINC code: MMs03363815

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C)c1c2c(ccc3c2cccc3)c(OC)c2c1cccc2

InChI:

InChI=1/C20H16O2/c1-21-19-15-9-5-6-10-16(15)20(22-2)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.287 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -7.11928	SlogP: 5.1634	Reactive groups: 0

Topological Properties
Globularity: 0.0310698	Sterimol/B1: 2.12478	Sterimol/B2: 2.37699	Sterimol/B3: 3.21468
Sterimol/B4: 8.68086	Sterimol/L: 14.2249

Surface and Volume Properties
Accessible surface: 502.351	Positive charged surface: 307.265	Negative charged surface: 163.06	Volume: 287.125
Hydrophobic surface: 488.634	Hydrophilic surface: 13.717

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.