MMsINC Database Search


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MMsINC code: MMs00022588

Type: Neutral
Formula: C₁₁H₂₇NO₆P₂

SMILES:

P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)N(C)C

InChI:

InChI=1/C11H27NO6P2/c1-7-15-19(13,16-8-2)11(12(5)6)20(14,17-9-3)18-10-4/h11H,7-10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3874 kcal/mol

Physical Properties
Molecular Weight: 331.286 g/mol	logS: -0.27544	SlogP: 1.2234	Reactive groups: 0

Topological Properties
Globularity: 0.0921047	Sterimol/B1: 2.66369	Sterimol/B2: 3.28992	Sterimol/B3: 3.69393
Sterimol/B4: 8.98504	Sterimol/L: 15.1987

Surface and Volume Properties
Accessible surface: 574.755	Positive charged surface: 446.382	Negative charged surface: 128.373	Volume: 307.25
Hydrophobic surface: 444.64	Hydrophilic surface: 130.115

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 7	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.