MMsINC Database Search


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MMsINC code: MMs02328113

Type: Neutral
Formula: C₁₆H₁₄O₂

SMILES:

O(C)c1c2c3c(cccc3OC)ccc2ccc1

InChI:

InChI=1/C16H14O2/c1-17-13-7-3-5-11-9-10-12-6-4-8-14(18-2)16(12)15(11)13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.687 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -5.2414	SlogP: 4.0102	Reactive groups: 0

Topological Properties
Globularity: 0.0169635	Sterimol/B1: 2.36903	Sterimol/B2: 2.37674	Sterimol/B3: 2.37899
Sterimol/B4: 8.43849	Sterimol/L: 12.1441

Surface and Volume Properties
Accessible surface: 434.992	Positive charged surface: 277.632	Negative charged surface: 135.218	Volume: 237.5
Hydrophobic surface: 434.806	Hydrophilic surface: 0.18600000000004

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.