MMsINC Database Search


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MMsINC code: MMs00012154

Type: Neutral
Formula: C₅H₁₂NO₅P

SMILES:

P(O)(O)(=O)CCCC(N)C(O)=O

InChI:

InChI=1/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-26.521 kcal/mol

Physical Properties
Molecular Weight: 197.127 g/mol	logS: 0.98824	SlogP: -1.714	Reactive groups: 0

Topological Properties
Globularity: 0.080634	Sterimol/B1: 3.26546	Sterimol/B2: 3.27856	Sterimol/B3: 3.29181
Sterimol/B4: 3.679	Sterimol/L: 12.531

Surface and Volume Properties
Accessible surface: 382.029	Positive charged surface: 235.422	Negative charged surface: 146.607	Volume: 161.375
Hydrophobic surface: 100.068	Hydrophilic surface: 281.961

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.