MMsINC Database Search


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MMsINC code: MMs00116444

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccccc1NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)CCC

InChI:

InChI=1/C19H17FN2O3/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)25)18(24)21-14-9-5-4-8-13(14)20/h3-10,23H,2,11H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9811 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.61326	SlogP: 3.4901	Reactive groups: 0

Topological Properties
Globularity: 0.0217049	Sterimol/B1: 2.27405	Sterimol/B2: 2.46593	Sterimol/B3: 3.02917
Sterimol/B4: 9.07809	Sterimol/L: 16.1958

Surface and Volume Properties
Accessible surface: 560.567	Positive charged surface: 320.657	Negative charged surface: 239.91	Volume: 310.75
Hydrophobic surface: 453.909	Hydrophilic surface: 106.658

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.