MMsINC Database Search


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MMsINC code: MMs00005767

Type: Neutral
Formula: C₈H₈O₃

SMILES:

Oc1cccc(O)c1C(=O)C

InChI:

InChI=1/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.8138 kcal/mol

Physical Properties
Molecular Weight: 152.149 g/mol	logS: -0.97325	SlogP: 1.3004	Reactive groups: 0

Topological Properties
Globularity: 0.105021	Sterimol/B1: 2.23828	Sterimol/B2: 4.01708	Sterimol/B3: 4.10843
Sterimol/B4: 4.19356	Sterimol/L: 10.1331

Surface and Volume Properties
Accessible surface: 328.528	Positive charged surface: 184.976	Negative charged surface: 143.552	Volume: 142
Hydrophobic surface: 208.068	Hydrophilic surface: 120.46

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.