MMsINC Database Search


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MMsINC code: MMs02246783

Type: Neutral
Formula: C₁₃H₃₀NO₃P

SMILES:

P(OCC)(OCC)(=O)CN(CCCC)CCCC

InChI:

InChI=1/C13H30NO3P/c1-5-9-11-14(12-10-6-2)13-18(15,16-7-3)17-8-4/h5-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2708 kcal/mol

Physical Properties
Molecular Weight: 279.361 g/mol	logS: -1.95759	SlogP: 3.042	Reactive groups: 0

Topological Properties
Globularity: 0.237887	Sterimol/B1: 2.48386	Sterimol/B2: 4.44785	Sterimol/B3: 5.19912
Sterimol/B4: 10.1299	Sterimol/L: 14.4659

Surface and Volume Properties
Accessible surface: 604.681	Positive charged surface: 469.475	Negative charged surface: 135.205	Volume: 301.75
Hydrophobic surface: 484.729	Hydrophilic surface: 119.952

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.