MMsINC Database Search


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MMsINC code: MMs03372919

Type: Neutral
Formula: C₁₇H₂₉O₅P

SMILES:

P(OCCOc1ccc(cc1)CCCCCCC(C)C)(O)(O)=O

InChI:

InChI=1/C17H29O5P/c1-15(2)7-5-3-4-6-8-16-9-11-17(12-10-16)21-13-14-22-23(18,19)20/h9-12,15H,3-8,13-14H2,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-26.8035 kcal/mol

Physical Properties
Molecular Weight: 344.388 g/mol	logS: -5.61598	SlogP: 3.25347	Reactive groups: 0

Topological Properties
Globularity: 0.0253716	Sterimol/B1: 2.82585	Sterimol/B2: 3.58953	Sterimol/B3: 3.97508
Sterimol/B4: 4.90591	Sterimol/L: 23.0907

Surface and Volume Properties
Accessible surface: 688.658	Positive charged surface: 475.69	Negative charged surface: 212.968	Volume: 341.5
Hydrophobic surface: 486.418	Hydrophilic surface: 202.24

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03372920
PUBCHEM-ZINC05758410