MMsINC Database Search


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MMsINC code: MMs03078966

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OCC1OC(O)CC1O)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-50.4081 kcal/mol

Physical Properties
Molecular Weight: 214.11 g/mol	logS: 0.85552	SlogP: -2.5063	Reactive groups: 0

Topological Properties
Globularity: 0.103676	Sterimol/B1: 3.10476	Sterimol/B2: 3.46387	Sterimol/B3: 3.83555
Sterimol/B4: 4.31543	Sterimol/L: 11.677

Surface and Volume Properties
Accessible surface: 386.442	Positive charged surface: 252.996	Negative charged surface: 133.446	Volume: 160.5
Hydrophobic surface: 126.302	Hydrophilic surface: 260.14

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs03078967
PUBCHEM-ZINC03869834