MMsINC Database Search


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MMsINC code: MMs01603604

Type: Neutral
Formula: C₁₉H₁₆FNO₃

SMILES:

Fc1ccccc1-c1oc(cc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C19H16FNO3/c1-23-16-9-5-2-6-13(16)12-21-19(22)18-11-10-17(24-18)14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2455 kcal/mol

Physical Properties
Molecular Weight: 325.339 g/mol	logS: -5.79102	SlogP: 4.2907	Reactive groups: 0

Topological Properties
Globularity: 0.125394	Sterimol/B1: 2.49097	Sterimol/B2: 3.53268	Sterimol/B3: 6.82189
Sterimol/B4: 7.29378	Sterimol/L: 15.2858

Surface and Volume Properties
Accessible surface: 601.514	Positive charged surface: 367.174	Negative charged surface: 234.34	Volume: 306.25
Hydrophobic surface: 540.852	Hydrophilic surface: 60.662

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.