MMsINC Database Search


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MMsINC code: MMs01534166

Type: Neutral
Formula: C₁₀H₁₀O₂

SMILES:

o1c2c(cc1C(O)C)cccc2

InChI:

InChI=1/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.1406 kcal/mol

Physical Properties
Molecular Weight: 162.188 g/mol	logS: -3.08136	SlogP: 2.5816	Reactive groups: 0

Topological Properties
Globularity: 0.0655502	Sterimol/B1: 2.15721	Sterimol/B2: 3.91523	Sterimol/B3: 3.9826
Sterimol/B4: 4.03814	Sterimol/L: 11.7004

Surface and Volume Properties
Accessible surface: 365.778	Positive charged surface: 219.058	Negative charged surface: 141.641	Volume: 162.875
Hydrophobic surface: 284.651	Hydrophilic surface: 81.127

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.