MMsINC Database Search


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MMsINC code: MMs03340488

Type: Neutral
Formula: C₁₂H₁₉O₅P

SMILES:

P(OC)(OC)(=O)c1c(CC)c(O)c(cc1O)CC

InChI:

InChI=1/C12H19O5P/c1-5-8-7-10(13)12(9(6-2)11(8)14)18(15,16-3)17-4/h7,13-14H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.293 kcal/mol

Physical Properties
Molecular Weight: 274.253 g/mol	logS: -2.06272	SlogP: 1.26354	Reactive groups: 0

Topological Properties
Globularity: 0.0820076	Sterimol/B1: 2.10215	Sterimol/B2: 4.281	Sterimol/B3: 4.80575
Sterimol/B4: 5.31722	Sterimol/L: 13.1354

Surface and Volume Properties
Accessible surface: 470.932	Positive charged surface: 343.619	Negative charged surface: 127.313	Volume: 253.625
Hydrophobic surface: 334.994	Hydrophilic surface: 135.938

Pharmacophoric Properties
Hydrogen bond donors: 2	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.