MMsINC Database Search


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MMsINC code: MMs00006884

Type: Neutral
Formula: C₈H₁₀O₃

SMILES:

O(C)c1c(OC)cccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.918 kcal/mol

Physical Properties
Molecular Weight: 154.165 g/mol	logS: -1.12369	SlogP: 1.4094	Reactive groups: 0

Topological Properties
Globularity: 0.0768012	Sterimol/B1: 2.30481	Sterimol/B2: 2.70036	Sterimol/B3: 3.95325
Sterimol/B4: 5.53973	Sterimol/L: 9.66344

Surface and Volume Properties
Accessible surface: 344.878	Positive charged surface: 266.436	Negative charged surface: 78.4416	Volume: 149.25
Hydrophobic surface: 285.897	Hydrophilic surface: 58.981

Pharmacophoric Properties
Hydrogen bond donors: 1	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.