MMsINC Database Search


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MMsINC code: MMs02491760

Type: Neutral
Formula: C₂₀H₃₃O₈P

SMILES:

P(OC(C)C)(OC(C)C)(=O)c1cc2OCCOCCOCCOCCOc2cc1

InChI:

InChI=1/C20H33O8P/c1-16(2)27-29(21,28-17(3)4)18-5-6-19-20(15-18)26-14-12-24-10-8-22-7-9-23-11-13-25-19/h5-6,15-17H,7-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.146 kcal/mol

Physical Properties
Molecular Weight: 432.45 g/mol	logS: -3.4216	SlogP: 2.1058	Reactive groups: 0

Topological Properties
Globularity: 0.0733791	Sterimol/B1: 3.68282	Sterimol/B2: 3.94189	Sterimol/B3: 4.87453
Sterimol/B4: 6.97592	Sterimol/L: 18.1482

Surface and Volume Properties
Accessible surface: 714.576	Positive charged surface: 545.778	Negative charged surface: 168.799	Volume: 413.875
Hydrophobic surface: 587.911	Hydrophilic surface: 126.665

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 8	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.