MMsINC Database Search


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MMsINC code: MMs02316489

Type: Neutral
Formula: C₁₁H₁₀O

SMILES:

Oc1cc2c(cc(cc2)C)cc1

InChI:

InChI=1/C11H10O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-7,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.5272 kcal/mol

Physical Properties
Molecular Weight: 158.2 g/mol	logS: -3.37473	SlogP: 2.85382	Reactive groups: 0

Topological Properties
Globularity: 0.0145945	Sterimol/B1: 2.05404	Sterimol/B2: 2.50117	Sterimol/B3: 3.74067
Sterimol/B4: 4.65184	Sterimol/L: 11.579

Surface and Volume Properties
Accessible surface: 357.1	Positive charged surface: 197.953	Negative charged surface: 148.526	Volume: 165.125
Hydrophobic surface: 305.83	Hydrophilic surface: 51.27

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.