MMsINC Database Search


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MMsINC code: MMs03950757

Type: Ionized
Formula: C₁₄H₁₀FO₂-

SMILES:

Fc1cc(ccc1C)-c1cc(ccc1)C(=O)[O-]

InChI:

InChI=1/C14H11FO2/c1-9-5-6-11(8-13(9)15)10-3-2-4-12(7-10)14(16)17/h2-8H,1H3,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9924 kcal/mol

Physical Properties
Molecular Weight: 229.23 g/mol	logS: -4.49656	SlogP: 2.16462	Reactive groups: 0

Topological Properties
Globularity: 0.0477184	Sterimol/B1: 2.71404	Sterimol/B2: 2.90754	Sterimol/B3: 4.3702
Sterimol/B4: 4.41891	Sterimol/L: 13.9876

Surface and Volume Properties
Accessible surface: 434.509	Positive charged surface: 202.635	Negative charged surface: 227.2	Volume: 214.875
Hydrophobic surface: 345.642	Hydrophilic surface: 88.867

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:

MMs03950756
TYGER-ZINC04204262