MMsINC Database Search


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MMsINC code: MMs00941397

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CCC1CC(=O)Nc2c1cccc2

InChI:

InChI=1/C19H19FN2O2/c20-15-8-5-13(6-9-15)12-21-18(23)10-7-14-11-19(24)22-17-4-2-1-3-16(14)17/h1-6,8-9,14H,7,10-12H2,(H,21,23)(H,22,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2354 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -3.84646	SlogP: 3.6145	Reactive groups: 0

Topological Properties
Globularity: 0.0483987	Sterimol/B1: 2.46754	Sterimol/B2: 3.50627	Sterimol/B3: 3.8419
Sterimol/B4: 7.03616	Sterimol/L: 18.7422

Surface and Volume Properties
Accessible surface: 591.315	Positive charged surface: 342.009	Negative charged surface: 249.306	Volume: 311.375
Hydrophobic surface: 472.271	Hydrophilic surface: 119.044

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