MMsINC Database Search


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MMsINC code: MMs00432419

Type: Neutral
Formula: C₁₇H₁₉O₆P

SMILES:

P1(Oc2c(OCCOCCOc3c(O1)cccc3)cccc2)(=O)C

InChI:

InChI=1/C17H19O6P/c1-24(18)22-16-8-4-2-6-14(16)20-12-10-19-11-13-21-15-7-3-5-9-17(15)23-24/h2-9H,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.121 kcal/mol

Physical Properties
Molecular Weight: 350.307 g/mol	logS: -3.40778	SlogP: 2.6849	Reactive groups: 0

Topological Properties
Globularity: 0.0604245	Sterimol/B1: 2.27565	Sterimol/B2: 2.38286	Sterimol/B3: 3.80945
Sterimol/B4: 8.07052	Sterimol/L: 14.6237

Surface and Volume Properties
Accessible surface: 524.385	Positive charged surface: 340.803	Negative charged surface: 183.582	Volume: 310.5
Hydrophobic surface: 460.323	Hydrophilic surface: 64.062

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.