MMsINC Database Search


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MMsINC code: MMs02513921

Type: Neutral
Formula: C₉H₁₉O₇P

SMILES:

P(OC(C)C)(O)(=O)CC1OC(CO)C(O)C1O

InChI:

InChI=1/C9H19O7P/c1-5(2)16-17(13,14)4-7-9(12)8(11)6(3-10)15-7/h5-12H,3-4H2,1-2H3,(H,13,14)/t6-,7-,8+,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0921 kcal/mol

Physical Properties
Molecular Weight: 270.218 g/mol	logS: 0.39552	SlogP: -1.9919	Reactive groups: 0

Topological Properties
Globularity: 0.06137	Sterimol/B1: 2.4265	Sterimol/B2: 3.7802	Sterimol/B3: 4.34811
Sterimol/B4: 6.0028	Sterimol/L: 13.7407

Surface and Volume Properties
Accessible surface: 490.078	Positive charged surface: 346.033	Negative charged surface: 144.045	Volume: 232.875
Hydrophobic surface: 246.445	Hydrophilic surface: 243.633

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

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.