MMsINC Database Search


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MMsINC code: MMs03004044

Type: Neutral
Formula: C₇H₁₈NO₃P

SMILES:

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

InChI:

InChI=1/C7H18NO3P/c1-5-10-12(9,11-6-2)7-8(3)4/h5-7H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0082 kcal/mol

Physical Properties
Molecular Weight: 195.199 g/mol	logS: 0.13081	SlogP: 0.7014	Reactive groups: 0

Topological Properties
Globularity: 0.0868166	Sterimol/B1: 2.11985	Sterimol/B2: 2.7879	Sterimol/B3: 3.90226
Sterimol/B4: 7.90613	Sterimol/L: 12.2418

Surface and Volume Properties
Accessible surface: 427.584	Positive charged surface: 344.791	Negative charged surface: 82.7935	Volume: 197.75
Hydrophobic surface: 343.626	Hydrophilic surface: 83.958

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.