MMsINC Database Search


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MMsINC code: MMs02623727

Type: Neutral
Formula: C₁₂H₁₉O₆P

SMILES:

P(OCC)(OCC)(=O)Cc1ccoc1C(OCC)=O

InChI:

InChI=1/C12H19O6P/c1-4-15-12(13)11-10(7-8-16-11)9-19(14,17-5-2)18-6-3/h7-8H,4-6,9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.9458 kcal/mol

Physical Properties
Molecular Weight: 290.252 g/mol	logS: -2.49421	SlogP: 2.4186	Reactive groups: 0

Topological Properties
Globularity: 0.145902	Sterimol/B1: 3.02074	Sterimol/B2: 3.24779	Sterimol/B3: 4.43103
Sterimol/B4: 7.50921	Sterimol/L: 14.7944

Surface and Volume Properties
Accessible surface: 533.896	Positive charged surface: 363.117	Negative charged surface: 170.779	Volume: 267
Hydrophobic surface: 403.554	Hydrophilic surface: 130.342

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.