MMsINC Database Search


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MMsINC code: MMs00553392

Type: Neutral
Formula: C₁₁H₁₁O₅P

SMILES:

P(OC)(OC)(=O)C1=CC(Oc2c1cccc2)=O

InChI:

InChI=1/C11H11O5P/c1-14-17(13,15-2)10-7-11(12)16-9-6-4-3-5-8(9)10/h3-7H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9254 kcal/mol

Physical Properties
Molecular Weight: 254.178 g/mol	logS: -2.85739	SlogP: 1.3622	Reactive groups: 0

Topological Properties
Globularity: 0.0514706	Sterimol/B1: 2.98618	Sterimol/B2: 3.65294	Sterimol/B3: 4.87966
Sterimol/B4: 5.4102	Sterimol/L: 12.3149

Surface and Volume Properties
Accessible surface: 439.782	Positive charged surface: 272.132	Negative charged surface: 167.65	Volume: 215.875
Hydrophobic surface: 339.785	Hydrophilic surface: 99.997

Pharmacophoric Properties
Hydrogen bond donors: 0	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.