MMsINC Database Search


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MMsINC code: MMs01724900

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

Oc1c2c(cccc2)c(O)cc1C

InChI:

InChI=1/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3478 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -2.69933	SlogP: 2.55942	Reactive groups: 0

Topological Properties
Globularity: 0.020647	Sterimol/B1: 2.14873	Sterimol/B2: 2.49762	Sterimol/B3: 3.88229
Sterimol/B4: 5.08955	Sterimol/L: 11.026

Surface and Volume Properties
Accessible surface: 362.994	Positive charged surface: 209.563	Negative charged surface: 142.81	Volume: 171.625
Hydrophobic surface: 281.401	Hydrophilic surface: 81.593

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.