MMsINC Database Search


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MMsINC code: MMs02989935

Type: Neutral
Formula: C₉H₂₃NO₄P₂

SMILES:

P(OCC)(=O)(CN(CP(OCC)(=O)C)C)C

InChI:

InChI=1/C9H23NO4P2/c1-6-13-15(4,11)8-10(3)9-16(5,12)14-7-2/h6-9H2,1-5H3/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8044 kcal/mol

Physical Properties
Molecular Weight: 271.234 g/mol	logS: 0.91359	SlogP: 0.5816	Reactive groups: 0

Topological Properties
Globularity: 0.126328	Sterimol/B1: 2.10771	Sterimol/B2: 3.38387	Sterimol/B3: 4.19732
Sterimol/B4: 7.83632	Sterimol/L: 14.7148

Surface and Volume Properties
Accessible surface: 524.758	Positive charged surface: 387.865	Negative charged surface: 136.893	Volume: 259.25
Hydrophobic surface: 387.569	Hydrophilic surface: 137.189

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.