MMsINC Database Search


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MMsINC code: MMs03545883

Type: Neutral
Formula: C₁₃H₁₀O

SMILES:

O1Cc2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4494 kcal/mol

Physical Properties
Molecular Weight: 182.222 g/mol	logS: -3.98404	SlogP: 3.5124	Reactive groups: 0

Topological Properties
Globularity: 0.0174748	Sterimol/B1: 2.31866	Sterimol/B2: 2.78864	Sterimol/B3: 3.6095
Sterimol/B4: 4.81064	Sterimol/L: 12.1215

Surface and Volume Properties
Accessible surface: 372.99	Positive charged surface: 206.048	Negative charged surface: 157.227	Volume: 184.625
Hydrophobic surface: 350.508	Hydrophilic surface: 22.482

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.