MMsINC Database Search


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MMsINC code: MMs03383816

Type: Neutral
Formula: C₁₃H₁₀O

SMILES:

o1c2cc(ccc2c2c1cccc2)C

InChI:

InChI=1/C13H10O/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1091 kcal/mol

Physical Properties
Molecular Weight: 182.222 g/mol	logS: -5.15081	SlogP: 3.89442	Reactive groups: 0

Topological Properties
Globularity: 0.00696123	Sterimol/B1: 2.10232	Sterimol/B2: 2.51203	Sterimol/B3: 3.63976
Sterimol/B4: 4.33338	Sterimol/L: 12.8231

Surface and Volume Properties
Accessible surface: 389.742	Positive charged surface: 208.96	Negative charged surface: 169.926	Volume: 186.5
Hydrophobic surface: 376.827	Hydrophilic surface: 12.915

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