MMsINC Database Search


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MMsINC code: MMs03173081

Type: Neutral
Formula: C₁₃H₁₀O

SMILES:

o1c2c(cc(cc2)C)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0798 kcal/mol

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

Topological Properties
Globularity: 0.00758776	Sterimol/B1: 2.10444	Sterimol/B2: 2.51229	Sterimol/B3: 2.76359
Sterimol/B4: 5.62643	Sterimol/L: 12.6813

Surface and Volume Properties
Accessible surface: 387.744	Positive charged surface: 208.92	Negative charged surface: 166.83	Volume: 186
Hydrophobic surface: 375.256	Hydrophilic surface: 12.488

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.