MMsINC Database Search


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MMsINC code: MMs02252216

Type: Neutral
Formula: C₁₃H₁₀O

SMILES:

Oc1c-2c(Cc3c-2cccc3)ccc1

InChI:

InChI=1/C13H10O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7,14H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.392 kcal/mol

Physical Properties
Molecular Weight: 182.222 g/mol	logS: -3.92019	SlogP: 2.96337	Reactive groups: 0

Topological Properties
Globularity: 0.0143817	Sterimol/B1: 2.30103	Sterimol/B2: 2.45459	Sterimol/B3: 3.97402
Sterimol/B4: 4.45324	Sterimol/L: 12.0166

Surface and Volume Properties
Accessible surface: 377.006	Positive charged surface: 215.301	Negative charged surface: 150.592	Volume: 183.875
Hydrophobic surface: 337.137	Hydrophilic surface: 39.869

Pharmacophoric Properties
Hydrogen bond donors: 1	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.