MMsINC Database Search


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MMsINC code: MMs01412819

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

o1c2c(cccc2)c(C)c1C(=O)C

InChI:

InChI=1/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.3604 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -3.45587	SlogP: 2.94382	Reactive groups: 0

Topological Properties
Globularity: 0.0208054	Sterimol/B1: 2.05977	Sterimol/B2: 2.5117	Sterimol/B3: 2.51989
Sterimol/B4: 6.746	Sterimol/L: 11.6955

Surface and Volume Properties
Accessible surface: 370.141	Positive charged surface: 214.061	Negative charged surface: 150.679	Volume: 175
Hydrophobic surface: 332.018	Hydrophilic surface: 38.123

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.