MMsINC Database Search


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MMsINC code: MMs03079187

Type: Neutral
Formula: C₅H₁₀NO₇P

SMILES:

P(OC(=O)CCC(N)C(O)=O)(O)(O)=O

InChI:

InChI=1/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-53.6924 kcal/mol

Physical Properties
Molecular Weight: 227.109 g/mol	logS: 0.788	SlogP: -2.2558	Reactive groups: 0

Topological Properties
Globularity: 0.062424	Sterimol/B1: 3.23418	Sterimol/B2: 3.31834	Sterimol/B3: 3.39054
Sterimol/B4: 3.92574	Sterimol/L: 13.2643

Surface and Volume Properties
Accessible surface: 403.138	Positive charged surface: 224.079	Negative charged surface: 179.06	Volume: 169.375
Hydrophobic surface: 74.918	Hydrophilic surface: 328.22

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	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.