MMsINC Database Search


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MMsINC code: MMs00799460

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccccc1OC(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2644 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -3.94741	SlogP: 2.9474	Reactive groups: 0

Topological Properties
Globularity: 0.0682441	Sterimol/B1: 2.19478	Sterimol/B2: 3.71357	Sterimol/B3: 3.78229
Sterimol/B4: 8.41939	Sterimol/L: 15.2317

Surface and Volume Properties
Accessible surface: 522.625	Positive charged surface: 285.225	Negative charged surface: 237.4	Volume: 266.25
Hydrophobic surface: 455.634	Hydrophilic surface: 66.991

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.