MMsINC Database Search


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MMsINC code: MMs02997257

Type: Neutral
Formula: C₁₇H₂₉O₄P

SMILES:

P(OC)(OC)(=O)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:

InChI=1/C17H29O4P/c1-16(2,3)13-9-12(11-22(19,20-7)21-8)10-14(15(13)18)17(4,5)6/h9-10,18H,11H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.034 kcal/mol

Physical Properties
Molecular Weight: 328.389 g/mol	logS: -4.42959	SlogP: 4.1693	Reactive groups: 0

Topological Properties
Globularity: 0.156041	Sterimol/B1: 2.35511	Sterimol/B2: 3.72084	Sterimol/B3: 3.94419
Sterimol/B4: 9.76989	Sterimol/L: 13.7895

Surface and Volume Properties
Accessible surface: 582.495	Positive charged surface: 423.745	Negative charged surface: 158.75	Volume: 331.75
Hydrophobic surface: 435.424	Hydrophilic surface: 147.071

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.