MMsINC Database Search


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MMsINC code: MMs03286522

Type: Neutral
Formula: C₁₆H₂₇O₅P

SMILES:

P(OC)(OC)(=O)c1c(O)c(O)c(cc1C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C16H27O5P/c1-15(2,3)10-9-11(16(4,5)6)14(13(18)12(10)17)22(19,20-7)21-8/h9,17-18H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.393 kcal/mol

Physical Properties
Molecular Weight: 330.361 g/mol	logS: -4.1236	SlogP: 2.7338	Reactive groups: 0

Topological Properties
Globularity: 0.104971	Sterimol/B1: 3.57596	Sterimol/B2: 3.82164	Sterimol/B3: 4.21525
Sterimol/B4: 6.56511	Sterimol/L: 13.3626

Surface and Volume Properties
Accessible surface: 535.263	Positive charged surface: 399.528	Negative charged surface: 135.735	Volume: 315
Hydrophobic surface: 364.672	Hydrophilic surface: 170.591

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.