MMsINC Database Search


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MMsINC code: MMs00007485

Type: Neutral
Formula: C₈H₁₀O₃

SMILES:

O(C)c1ccc(cc1O)CO

InChI:

InChI=1/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9818 kcal/mol

Physical Properties
Molecular Weight: 154.165 g/mol	logS: -0.84433	SlogP: 1.1595	Reactive groups: 0

Topological Properties
Globularity: 0.0424821	Sterimol/B1: 2.49136	Sterimol/B2: 2.69289	Sterimol/B3: 3.05576
Sterimol/B4: 5.05049	Sterimol/L: 11.7354

Surface and Volume Properties
Accessible surface: 351.843	Positive charged surface: 253.357	Negative charged surface: 98.4866	Volume: 148.25
Hydrophobic surface: 229.158	Hydrophilic surface: 122.685

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.