MMsINC Database Search


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MMsINC code: MMs01616606

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C16H14FNO3/c1-21-16(20)13-6-4-12(5-7-13)15(19)18-10-11-2-8-14(17)9-3-11/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)=56.1929 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -3.97562	SlogP: 2.8087	Reactive groups: 0

Topological Properties
Globularity: 0.0428191	Sterimol/B1: 2.57466	Sterimol/B2: 3.6188	Sterimol/B3: 3.62044
Sterimol/B4: 6.71866	Sterimol/L: 16.486

Surface and Volume Properties
Accessible surface: 535.637	Positive charged surface: 313.036	Negative charged surface: 222.601	Volume: 266.75
Hydrophobic surface: 449.671	Hydrophilic surface: 85.966

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.