MMsINC Database Search


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MMsINC code: MMs02393460

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C)c1ccc2c(cccc2)c1\C=C/C(=O)c1ccccc1

InChI:

InChI=1/C20H16O2/c1-22-20-14-11-15-7-5-6-10-17(15)18(20)12-13-19(21)16-8-3-2-4-9-16/h2-14H,1H3/b13-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.071 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.89177	SlogP: 4.7445	Reactive groups: 1

Topological Properties
Globularity: 0.140737	Sterimol/B1: 2.04673	Sterimol/B2: 3.16336	Sterimol/B3: 5.26892
Sterimol/B4: 8.35445	Sterimol/L: 15.075

Surface and Volume Properties
Accessible surface: 526.888	Positive charged surface: 311.914	Negative charged surface: 206.172	Volume: 292
Hydrophobic surface: 513.639	Hydrophilic surface: 13.249

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.