MMsINC Database Search


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MMsINC code: MMs00007151

Type: Neutral
Formula: C₇H₈O₂

SMILES:

O(C)c1cc(O)ccc1

InChI:

InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1858 kcal/mol

Physical Properties
Molecular Weight: 124.139 g/mol	logS: -1.07331	SlogP: 1.4008	Reactive groups: 0

Topological Properties
Globularity: 0.025838	Sterimol/B1: 2.34227	Sterimol/B2: 2.40482	Sterimol/B3: 3.38314
Sterimol/B4: 4.51425	Sterimol/L: 10.0763

Surface and Volume Properties
Accessible surface: 304.203	Positive charged surface: 206.214	Negative charged surface: 97.9887	Volume: 125.25
Hydrophobic surface: 242.457	Hydrophilic surface: 61.746

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.