MMsINC Database Search


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MMsINC code: MMs01246328

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccccc1C

InChI:

InChI=1/C16H14FNO3/c1-11-6-2-3-7-12(11)16(20)21-10-15(19)18-14-9-5-4-8-13(14)17/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0235 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.53194	SlogP: 2.92962	Reactive groups: 0

Topological Properties
Globularity: 0.0109872	Sterimol/B1: 2.01246	Sterimol/B2: 2.27	Sterimol/B3: 2.78748
Sterimol/B4: 6.73444	Sterimol/L: 16.8623

Surface and Volume Properties
Accessible surface: 522.59	Positive charged surface: 295.681	Negative charged surface: 226.909	Volume: 265.375
Hydrophobic surface: 453.639	Hydrophilic surface: 68.951

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.