MMsINC Database Search


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MMsINC code: MMs01247450

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1

InChI:

InChI=1/C16H14FNO3/c1-11-4-2-3-5-14(11)16(20)21-10-15(19)18-13-8-6-12(17)7-9-13/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)=84.6945 kcal/mol

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

Topological Properties
Globularity: 0.0165311	Sterimol/B1: 2.03552	Sterimol/B2: 2.43496	Sterimol/B3: 3.0079
Sterimol/B4: 6.70577	Sterimol/L: 17.1237

Surface and Volume Properties
Accessible surface: 522.257	Positive charged surface: 293.891	Negative charged surface: 228.366	Volume: 264.875
Hydrophobic surface: 449.773	Hydrophilic surface: 72.484

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.