MMsINC Database Search


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MMsINC code: MMs03002505

Type: Neutral
Formula: C₁₁H₂₇NO₆P₂

SMILES:

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

InChI:

InChI=1/C11H27NO6P2/c1-6-15-19(13,16-7-2)10-12(5)11-20(14,17-8-3)18-9-4/h6-11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.13 kcal/mol

Physical Properties
Molecular Weight: 331.286 g/mol	logS: -0.24995	SlogP: 1.225	Reactive groups: 0

Topological Properties
Globularity: 0.0533343	Sterimol/B1: 2.05934	Sterimol/B2: 3.40675	Sterimol/B3: 3.74483
Sterimol/B4: 8.01647	Sterimol/L: 17.0611

Surface and Volume Properties
Accessible surface: 621.273	Positive charged surface: 464.042	Negative charged surface: 157.231	Volume: 311.625
Hydrophobic surface: 461.038	Hydrophilic surface: 160.235

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.