MMsINC Database Search


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MMsINC code: MMs02309054

Type: Neutral
Formula: C₁₀H₁₀O₂

SMILES:

Oc1c2c(CC=CC2)c(O)cc1

InChI:

InChI=1/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,5-6,11-12H,3-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8995 kcal/mol

Physical Properties
Molecular Weight: 162.188 g/mol	logS: -1.3857	SlogP: 1.75254	Reactive groups: 0

Topological Properties
Globularity: 0.0602585	Sterimol/B1: 2.31483	Sterimol/B2: 2.90276	Sterimol/B3: 3.78334
Sterimol/B4: 5.23305	Sterimol/L: 9.72047

Surface and Volume Properties
Accessible surface: 344.419	Positive charged surface: 231.356	Negative charged surface: 113.063	Volume: 158.5
Hydrophobic surface: 221.751	Hydrophilic surface: 122.668

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.