MMsINC Database Search


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MMsINC code: MMs00007072

Type: Neutral
Formula: C₈H₁₀O₃

SMILES:

O(C)c1cc(O)ccc1OC

InChI:

InChI=1/C8H10O3/c1-10-7-4-3-6(9)5-8(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)=49.6642 kcal/mol

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

Topological Properties
Globularity: 0.0359384	Sterimol/B1: 2.35397	Sterimol/B2: 2.45646	Sterimol/B3: 3.48678
Sterimol/B4: 5.68906	Sterimol/L: 9.56064

Surface and Volume Properties
Accessible surface: 350.149	Positive charged surface: 268.174	Negative charged surface: 81.9751	Volume: 149.875
Hydrophobic surface: 281.468	Hydrophilic surface: 68.681

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.