MMsINC Database Search


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MMsINC code: MMs01534165

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2391 kcal/mol

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

Topological Properties
Globularity: 0.064037	Sterimol/B1: 2.06672	Sterimol/B2: 3.81718	Sterimol/B3: 3.93229
Sterimol/B4: 4.08017	Sterimol/L: 11.691

Surface and Volume Properties
Accessible surface: 361.25	Positive charged surface: 215.086	Negative charged surface: 141.054	Volume: 164.25
Hydrophobic surface: 281.325	Hydrophilic surface: 79.925

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.