MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02508033

Type: Neutral
Formula: C₁₄H₂₁O₈P

SMILES:

P(O)(O)(=O)c1cc2OCCOCCOCCOCCOc2cc1

InChI:

InChI=1/C14H21O8P/c15-23(16,17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H2,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6927 kcal/mol

Physical Properties
Molecular Weight: 348.288 g/mol	logS: -1.4224	SlogP: -0.7596	Reactive groups: 0

Topological Properties
Globularity: 0.0585087	Sterimol/B1: 2.58255	Sterimol/B2: 4.12339	Sterimol/B3: 4.20696
Sterimol/B4: 6.34911	Sterimol/L: 15.4575

Surface and Volume Properties
Accessible surface: 556.377	Positive charged surface: 409.028	Negative charged surface: 147.349	Volume: 303.25
Hydrophobic surface: 395.441	Hydrophilic surface: 160.936

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.