MMsINC Database Search


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MMsINC code: MMs03072972

Type: Neutral
Formula: C₁₆H₁₂FNO₂

SMILES:

Fc1cc2c([nH]c(-c3ccccc3)c2CC(O)=O)cc1

InChI:

InChI=1/C16H12FNO2/c17-11-6-7-14-12(8-11)13(9-15(19)20)16(18-14)10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2396 kcal/mol

Physical Properties
Molecular Weight: 269.275 g/mol	logS: -4.39581	SlogP: 3.60107	Reactive groups: 0

Topological Properties
Globularity: 0.0550876	Sterimol/B1: 3.08583	Sterimol/B2: 3.13148	Sterimol/B3: 3.57272
Sterimol/B4: 6.61431	Sterimol/L: 14.016

Surface and Volume Properties
Accessible surface: 478.67	Positive charged surface: 243.533	Negative charged surface: 231.389	Volume: 245.5
Hydrophobic surface: 374.784	Hydrophilic surface: 103.886

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03072973
PUBCHEM-ZINC03759852