MMsINC Database Search


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MMsINC code: MMs02813184

Type: Neutral
Formula: C₁₀H₁₀O₂

SMILES:

OC1C=Cc2c(cccc2)C1O

InChI:

InChI=1/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5839 kcal/mol

Physical Properties
Molecular Weight: 162.188 g/mol	logS: -1.58158	SlogP: 1.2032	Reactive groups: 0

Topological Properties
Globularity: 0.159304	Sterimol/B1: 3.48308	Sterimol/B2: 3.48953	Sterimol/B3: 3.6676
Sterimol/B4: 4.45509	Sterimol/L: 9.92211

Surface and Volume Properties
Accessible surface: 348.677	Positive charged surface: 213.596	Negative charged surface: 135.081	Volume: 159.5
Hydrophobic surface: 245.309	Hydrophilic surface: 103.368

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.