MMsINC Database Search


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MMsINC code: MMs02202788

Type: Neutral
Formula: C₁₆H₂₇O₅P

SMILES:

P(Oc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)(OC)(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0745 kcal/mol

Physical Properties
Molecular Weight: 330.361 g/mol	logS: -4.61833	SlogP: 3.6967	Reactive groups: 0

Topological Properties
Globularity: 0.112294	Sterimol/B1: 2.52685	Sterimol/B2: 3.13112	Sterimol/B3: 3.93206
Sterimol/B4: 9.39455	Sterimol/L: 13.7686

Surface and Volume Properties
Accessible surface: 562.783	Positive charged surface: 392.19	Negative charged surface: 170.593	Volume: 322
Hydrophobic surface: 393.933	Hydrophilic surface: 168.85

Pharmacophoric Properties
Hydrogen bond donors: 1	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.