MMsINC Database Search


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MMsINC code: MMs00590532

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccccc1CCNC(=O)C(N1C(=O)c2c(cccc2)C1=O)C

InChI:

InChI=1/C19H17FN2O3/c1-12(17(23)21-11-10-13-6-2-5-9-16(13)20)22-18(24)14-7-3-4-8-15(14)19(22)25/h2-9,12H,10-11H2,1H3,(H,21,23)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7705 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.55886	SlogP: 2.16907	Reactive groups: 0

Topological Properties
Globularity: 0.0715434	Sterimol/B1: 2.15706	Sterimol/B2: 2.31401	Sterimol/B3: 5.17796
Sterimol/B4: 6.56792	Sterimol/L: 18.2827

Surface and Volume Properties
Accessible surface: 590.821	Positive charged surface: 324.202	Negative charged surface: 266.619	Volume: 314
Hydrophobic surface: 471.64	Hydrophilic surface: 119.181

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.