MMsINC Database Search


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MMsINC code: MMs03541305

Type: Neutral
Formula: C₇H₈O₃

SMILES:

Oc1ccccc1C(O)O

InChI:

InChI=1/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.8582 kcal/mol

Physical Properties
Molecular Weight: 140.138 g/mol	logS: -0.47214	SlogP: 0.4709	Reactive groups: 0

Topological Properties
Globularity: 0.0644714	Sterimol/B1: 2.44741	Sterimol/B2: 2.45269	Sterimol/B3: 2.84618
Sterimol/B4: 5.47842	Sterimol/L: 9.64096

Surface and Volume Properties
Accessible surface: 312.909	Positive charged surface: 180.624	Negative charged surface: 132.285	Volume: 130.875
Hydrophobic surface: 175.104	Hydrophilic surface: 137.805

Pharmacophoric Properties
Hydrogen bond donors: 3	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.