MMsINC Database Search


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MMsINC code: MMs00013130

Type: Neutral
Formula: C₆H₁₄NO₅P

SMILES:

P(O)(O)(=O)CCCCC(N)C(O)=O

InChI:

InChI=1/C6H14NO5P/c7-5(6(8)9)3-1-2-4-13(10,11)12/h5H,1-4,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-28.7499 kcal/mol

Physical Properties
Molecular Weight: 211.154 g/mol	logS: 0.78647	SlogP: -1.3239	Reactive groups: 0

Topological Properties
Globularity: 0.076426	Sterimol/B1: 2.66509	Sterimol/B2: 3.42366	Sterimol/B3: 3.91056
Sterimol/B4: 3.96438	Sterimol/L: 13.6013

Surface and Volume Properties
Accessible surface: 412.224	Positive charged surface: 263.4	Negative charged surface: 148.824	Volume: 178.25
Hydrophobic surface: 130.309	Hydrophilic surface: 281.915

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.