MMsINC Database Search


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MMsINC code: MMs03004176

Type: Neutral
Formula: C₉H₂₂NO₃P

SMILES:

P(OCCC)(OCCC)(=O)CN(C)C

InChI:

InChI=1/C9H22NO3P/c1-5-7-12-14(11,9-10(3)4)13-8-6-2/h5-9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6251 kcal/mol

Physical Properties
Molecular Weight: 223.253 g/mol	logS: -0.27273	SlogP: 1.4816	Reactive groups: 0

Topological Properties
Globularity: 0.137776	Sterimol/B1: 2.37746	Sterimol/B2: 2.91625	Sterimol/B3: 4.85779
Sterimol/B4: 9.05676	Sterimol/L: 11.6825

Surface and Volume Properties
Accessible surface: 486.357	Positive charged surface: 393.947	Negative charged surface: 92.4101	Volume: 229.875
Hydrophobic surface: 404.95	Hydrophilic surface: 81.407

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.