MMsINC Database Search


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MMsINC code: MMs03003520

Type: Neutral
Formula: C₁₁H₂₆NO₃P

SMILES:

P(OCCC)(OCCC)(=O)CN(CC)CC

InChI:

InChI=1/C11H26NO3P/c1-5-9-14-16(13,15-10-6-2)11-12(7-3)8-4/h5-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4825 kcal/mol

Physical Properties
Molecular Weight: 251.307 g/mol	logS: -0.92715	SlogP: 2.2618	Reactive groups: 0

Topological Properties
Globularity: 0.0726737	Sterimol/B1: 2.49028	Sterimol/B2: 3.14531	Sterimol/B3: 3.50304
Sterimol/B4: 8.82745	Sterimol/L: 13.3817

Surface and Volume Properties
Accessible surface: 534.197	Positive charged surface: 404.399	Negative charged surface: 129.798	Volume: 265.375
Hydrophobic surface: 415.563	Hydrophilic surface: 118.634

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.