MMsINC Database Search


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MMsINC code: MMs03003136

Type: Neutral
Formula: C₁₃H₃₀NO₃P

SMILES:

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

InChI:

InChI=1/C13H30NO3P/c1-7-14(8-2)11-18(15,16-9-12(3)4)17-10-13(5)6/h12-13H,7-11H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3852 kcal/mol

Physical Properties
Molecular Weight: 279.361 g/mol	logS: -1.33069	SlogP: 2.7538	Reactive groups: 0

Topological Properties
Globularity: 0.0967199	Sterimol/B1: 2.69403	Sterimol/B2: 2.86481	Sterimol/B3: 4.06435
Sterimol/B4: 9.48796	Sterimol/L: 13.7399

Surface and Volume Properties
Accessible surface: 578.355	Positive charged surface: 428.161	Negative charged surface: 150.194	Volume: 300.25
Hydrophobic surface: 428.968	Hydrophilic surface: 149.387

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.