MMsINC Database Search


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MMsINC code: MMs00007264

Type: Neutral
Formula: C₈H₁₀O₂

SMILES:

O(C)c1ccccc1CO

InChI:

InChI=1/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.1804 kcal/mol

Physical Properties
Molecular Weight: 138.166 g/mol	logS: -1.20628	SlogP: 1.4539	Reactive groups: 0

Topological Properties
Globularity: 0.0374366	Sterimol/B1: 2.37319	Sterimol/B2: 2.37728	Sterimol/B3: 2.49201
Sterimol/B4: 5.92202	Sterimol/L: 9.48013

Surface and Volume Properties
Accessible surface: 334.938	Positive charged surface: 241.917	Negative charged surface: 93.0202	Volume: 141.375
Hydrophobic surface: 273.032	Hydrophilic surface: 61.906

Pharmacophoric Properties
Hydrogen bond donors: 1	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.