MMsINC Database Search


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MMsINC code: MMs03376737

Type: Ionized
Formula: C₁₄H₁₀FO₂-

SMILES:

Fc1ccc(cc1)-c1ccc(cc1)CC(=O)[O-]

InChI:

InChI=1/C14H11FO2/c15-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(16)17/h1-8H,9H2,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2963 kcal/mol

Physical Properties
Molecular Weight: 229.23 g/mol	logS: -4.39756	SlogP: 1.78507	Reactive groups: 0

Topological Properties
Globularity: 0.0541807	Sterimol/B1: 2.097	Sterimol/B2: 2.63191	Sterimol/B3: 4.35408
Sterimol/B4: 4.42975	Sterimol/L: 14.2607

Surface and Volume Properties
Accessible surface: 438.429	Positive charged surface: 200.523	Negative charged surface: 233.129	Volume: 214
Hydrophobic surface: 351.988	Hydrophilic surface: 86.441

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:

MMs03376736
PUBCHEM-ZINC05763397