MMsINC Database Search


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MMsINC code: MMs00011972

Type: Neutral
Formula: C₁₀H₉O₄P

SMILES:

P(Oc1c2c(ccc1)cccc2)(O)(O)=O

InChI:

InChI=1/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)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)=-18.6295 kcal/mol

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

Topological Properties
Globularity: 0.0410705	Sterimol/B1: 2.82758	Sterimol/B2: 3.14384	Sterimol/B3: 3.40274
Sterimol/B4: 6.28006	Sterimol/L: 11.4433

Surface and Volume Properties
Accessible surface: 395.135	Positive charged surface: 187.556	Negative charged surface: 198.737	Volume: 187.625
Hydrophobic surface: 255.476	Hydrophilic surface: 139.659

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.