MMsINC Database Search


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

MMsINC code: MMs03020289

Type: Ionized
Formula: C₁₁H₁₁FNO₄P-2

SMILES:

P(OCCCc1c2cc(F)ccc2[nH]c1)(=O)([O-])[O-]

InChI:

InChI=1/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.14444 kcal/mol

Physical Properties
Molecular Weight: 271.184 g/mol	logS: -1.93464	SlogP: 0.01467	Reactive groups: 0

Topological Properties
Globularity: 0.0559995	Sterimol/B1: 3.25543	Sterimol/B2: 3.48652	Sterimol/B3: 3.6037
Sterimol/B4: 6.10445	Sterimol/L: 14.11

Surface and Volume Properties
Accessible surface: 466.209	Positive charged surface: 214.876	Negative charged surface: 246.602	Volume: 221.75
Hydrophobic surface: 281.252	Hydrophilic surface: 184.957

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 3	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:

MMs03020288
PUBCHEM-ZINC03606158