MMsINC Database Search


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

MMsINC code: MMs03379786

Type: Ionized
Formula: C₁₅H₁₂FO₂-

SMILES:

Fc1ccccc1-c1ccc(cc1)CCC(=O)[O-]

InChI:

InChI=1/C15H13FO2/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-6,8-9H,7,10H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2211 kcal/mol

Physical Properties
Molecular Weight: 243.257 g/mol	logS: -4.27948	SlogP: 2.17517	Reactive groups: 0

Topological Properties
Globularity: 0.0492121	Sterimol/B1: 2.43579	Sterimol/B2: 2.71738	Sterimol/B3: 3.66861
Sterimol/B4: 5.10968	Sterimol/L: 15.7336

Surface and Volume Properties
Accessible surface: 468.469	Positive charged surface: 234.95	Negative charged surface: 228.941	Volume: 232.625
Hydrophobic surface: 370.12	Hydrophilic surface: 98.349

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

MMs03379785
PUBCHEM-ZINC05766782