MMsINC Database Search


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MMsINC code: MMs00050462

Type: Neutral
Formula: C₇H₉O₄P

SMILES:

P(O)(O)(=O)c1ccc(OC)cc1

InChI:

InChI=1/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.9208 kcal/mol

Physical Properties
Molecular Weight: 188.119 g/mol	logS: -0.79526	SlogP: -0.572	Reactive groups: 0

Topological Properties
Globularity: 0.054095	Sterimol/B1: 3.00755	Sterimol/B2: 3.02188	Sterimol/B3: 3.48785
Sterimol/B4: 4.5522	Sterimol/L: 11.8012

Surface and Volume Properties
Accessible surface: 366.654	Positive charged surface: 217.205	Negative charged surface: 149.449	Volume: 158.25
Hydrophobic surface: 222.588	Hydrophilic surface: 144.066

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.