MMsINC Database Search


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MMsINC code: MMs02313227

Type: Neutral
Formula: C₁₀H₁₃O₅P

SMILES:

P(OC)(OC)(=O)C(=O)c1ccccc1OC

InChI:

InChI=1/C10H13O5P/c1-13-9-7-5-4-6-8(9)10(11)16(12,14-2)15-3/h4-7H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6232 kcal/mol

Physical Properties
Molecular Weight: 244.183 g/mol	logS: -1.81697	SlogP: 1.2511	Reactive groups: 0

Topological Properties
Globularity: 0.0468737	Sterimol/B1: 2.55898	Sterimol/B2: 2.92225	Sterimol/B3: 3.77955
Sterimol/B4: 6.85406	Sterimol/L: 12.1939

Surface and Volume Properties
Accessible surface: 441.52	Positive charged surface: 315.428	Negative charged surface: 126.092	Volume: 214.625
Hydrophobic surface: 366.959	Hydrophilic surface: 74.561

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.