MMsINC Database Search


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MMsINC code: MMs03237802

Type: Neutral
Formula: C₁₂H₂₉NO₆P₂

SMILES:

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

InChI:

InChI=1/C12H29NO6P2/c1-6-13(11-20(14,16-7-2)17-8-3)12-21(15,18-9-4)19-10-5/h6-12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5375 kcal/mol

Physical Properties
Molecular Weight: 345.313 g/mol	logS: -0.57716	SlogP: 1.6151	Reactive groups: 0

Topological Properties
Globularity: 0.259329	Sterimol/B1: 2.2659	Sterimol/B2: 2.81508	Sterimol/B3: 7.66024
Sterimol/B4: 7.89715	Sterimol/L: 15.8189

Surface and Volume Properties
Accessible surface: 614.204	Positive charged surface: 458.158	Negative charged surface: 156.046	Volume: 327.625
Hydrophobic surface: 454.22	Hydrophilic surface: 159.984

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.