MMsINC Database Search


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MMsINC code: MMs02254082

Type: Ionized
Formula: C₁₆H₁₈O₆P-

SMILES:

P(OCCOc1ccccc1)(OCCOc1ccccc1)(=O)[O-]

InChI:

InChI=1/C16H19O6P/c17-23(18,21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0109 kcal/mol

Physical Properties
Molecular Weight: 337.288 g/mol	logS: -3.28172	SlogP: 1.5758	Reactive groups: 0

Topological Properties
Globularity: 0.0575333	Sterimol/B1: 2.24834	Sterimol/B2: 3.69216	Sterimol/B3: 3.8265
Sterimol/B4: 7.99847	Sterimol/L: 18.0003

Surface and Volume Properties
Accessible surface: 635.479	Positive charged surface: 367.802	Negative charged surface: 267.677	Volume: 306.25
Hydrophobic surface: 542.133	Hydrophilic surface: 93.346

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02254081
NCID-ZINC01601006