MMsINC Database Search


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MMsINC code: MMs00022881

Type: Neutral
Formula: C₁₀H₉O₄P

SMILES:

P(Oc1cc2c(cc1)cccc2)(O)(O)=O

InChI:

InChI=1/C10H9O4P/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-22.0183 kcal/mol

Physical Properties
Molecular Weight: 224.152 g/mol	logS: -2.75554	SlogP: 1.2411	Reactive groups: 0

Topological Properties
Globularity: 0.0360782	Sterimol/B1: 2.57943	Sterimol/B2: 3.17423	Sterimol/B3: 4.1742
Sterimol/B4: 4.22668	Sterimol/L: 12.9668

Surface and Volume Properties
Accessible surface: 401.745	Positive charged surface: 189.078	Negative charged surface: 201.595	Volume: 187.875
Hydrophobic surface: 256.842	Hydrophilic surface: 144.903

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.