MMsINC Database Search


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MMsINC code: MMs03415091

Type: Neutral
Formula: C₅H₁₁O₆P

SMILES:

P(OCC1OCCC1O)(O)(O)=O

InChI:

InChI=1/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-43.6058 kcal/mol

Physical Properties
Molecular Weight: 198.111 g/mol	logS: 0.53371	SlogP: -1.8247	Reactive groups: 0

Topological Properties
Globularity: 0.0919678	Sterimol/B1: 2.91465	Sterimol/B2: 3.20688	Sterimol/B3: 3.45065
Sterimol/B4: 4.07723	Sterimol/L: 11.755

Surface and Volume Properties
Accessible surface: 380.314	Positive charged surface: 253.457	Negative charged surface: 126.858	Volume: 154.125
Hydrophobic surface: 164.225	Hydrophilic surface: 216.089

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03415092
PUBCHEM-ZINC05848245