MMsINC Database Search


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MMsINC code: MMs02511987

Type: Neutral
Formula: C₁₀H₂₁O₇P

SMILES:

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

InChI:

InChI=1/C10H21O7P/c1-3-15-18(14,16-4-2)6-8-10(13)9(12)7(5-11)17-8/h7-13H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4769 kcal/mol

Physical Properties
Molecular Weight: 284.245 g/mol	logS: 0.05034	SlogP: -1.3362	Reactive groups: 0

Topological Properties
Globularity: 0.0699982	Sterimol/B1: 2.58649	Sterimol/B2: 3.43805	Sterimol/B3: 4.29515
Sterimol/B4: 7.01015	Sterimol/L: 13.907

Surface and Volume Properties
Accessible surface: 515.939	Positive charged surface: 389.862	Negative charged surface: 126.077	Volume: 253.375
Hydrophobic surface: 305.566	Hydrophilic surface: 210.373

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.