MMsINC Database Search


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MMsINC code: MMs02344234

Type: Neutral
Formula: C₁₅H₂₄NO₅P

SMILES:

P(OCC)(OCC)(=O)CCCNC(OCc1ccccc1)=O

InChI:

InChI=1/C15H24NO5P/c1-3-20-22(18,21-4-2)12-8-11-16-15(17)19-13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.68302 kcal/mol

Physical Properties
Molecular Weight: 329.333 g/mol	logS: -2.48486	SlogP: 2.7652	Reactive groups: 0

Topological Properties
Globularity: 0.0336649	Sterimol/B1: 2.21925	Sterimol/B2: 2.88119	Sterimol/B3: 4.32813
Sterimol/B4: 7.65738	Sterimol/L: 20.5242

Surface and Volume Properties
Accessible surface: 653.633	Positive charged surface: 443.918	Negative charged surface: 209.714	Volume: 319
Hydrophobic surface: 500.521	Hydrophilic surface: 153.112

Pharmacophoric Properties
Hydrogen bond donors: 1	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.