MMsINC Database Search


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MMsINC code: MMs01601406

Type: Neutral
Formula: C₂₀H₂₅O₇P

SMILES:

P1(Oc2c(OCCOCCOCCOc3c(O1)cccc3)cccc2)(=O)CC

InChI:

InChI=1/C20H25O7P/c1-2-28(21)26-19-9-5-3-7-17(19)24-15-13-22-11-12-23-14-16-25-18-8-4-6-10-20(18)27-28/h3-10H,2,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.46 kcal/mol

Physical Properties
Molecular Weight: 408.387 g/mol	logS: -3.87763	SlogP: 3.0916	Reactive groups: 0

Topological Properties
Globularity: 0.0706052	Sterimol/B1: 2.14536	Sterimol/B2: 2.99841	Sterimol/B3: 4.23266
Sterimol/B4: 10.6634	Sterimol/L: 14.2431

Surface and Volume Properties
Accessible surface: 608.219	Positive charged surface: 426.819	Negative charged surface: 181.4	Volume: 372.125
Hydrophobic surface: 545.782	Hydrophilic surface: 62.437

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 7	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.