MMsINC Database Search


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MMsINC code: MMs02552794

Type: Neutral
Formula: C₁₃H₉FO₂

SMILES:

Fc1ccccc1-c1ccccc1C(O)=O

InChI:

InChI=1/C13H9FO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1927 kcal/mol

Physical Properties
Molecular Weight: 216.211 g/mol	logS: -4.07564	SlogP: 3.1909	Reactive groups: 0

Topological Properties
Globularity: 0.116515	Sterimol/B1: 2.43727	Sterimol/B2: 3.12006	Sterimol/B3: 3.49629
Sterimol/B4: 6.98888	Sterimol/L: 12.1347

Surface and Volume Properties
Accessible surface: 400.433	Positive charged surface: 213.094	Negative charged surface: 185.703	Volume: 197.375
Hydrophobic surface: 325.654	Hydrophilic surface: 74.779

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules

MMs02552795
OAKWOOD-ZINC04299204