MMsINC Database Search


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MMsINC code: MMs02369329

Type: Neutral
Formula: C₆H₁₆NO₃P

SMILES:

P(OC)(OC)(=O)N(CC)CC

InChI:

InChI=1/C6H16NO3P/c1-5-7(6-2)11(8,9-3)10-4/h5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-18.1354 kcal/mol

Physical Properties
Molecular Weight: 181.172 g/mol	logS: -0.03867	SlogP: 0.6589	Reactive groups: 0

Topological Properties
Globularity: 0.503407	Sterimol/B1: 2.52467	Sterimol/B2: 3.3213	Sterimol/B3: 5.4062
Sterimol/B4: 5.83252	Sterimol/L: 9.6765

Surface and Volume Properties
Accessible surface: 376.404	Positive charged surface: 298.115	Negative charged surface: 78.2891	Volume: 175.125
Hydrophobic surface: 295.485	Hydrophilic surface: 80.919

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.