MMsINC Database Search


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MMsINC code: MMs02311300

Type: Neutral
Formula: C₈H₁₀O₃

SMILES:

O(C)c1cc(O)c(C)c(O)c1

InChI:

InChI=1/C8H10O3/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4,9-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4657 kcal/mol

Physical Properties
Molecular Weight: 154.165 g/mol	logS: -0.87183	SlogP: 1.41482	Reactive groups: 0

Topological Properties
Globularity: 0.034287	Sterimol/B1: 2.45344	Sterimol/B2: 2.49842	Sterimol/B3: 3.63753
Sterimol/B4: 4.66431	Sterimol/L: 10.9644

Surface and Volume Properties
Accessible surface: 340.754	Positive charged surface: 241.192	Negative charged surface: 99.5624	Volume: 146.125
Hydrophobic surface: 242.98	Hydrophilic surface: 97.774

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.