MMsINC Database Search


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MMsINC code: MMs00130459

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CN(CC1=Cc2cc(ccc2NC1=O)C)C(=O)C

InChI:

InChI=1/C20H19FN2O2/c1-13-3-8-19-16(9-13)10-17(20(25)22-19)12-23(14(2)24)11-15-4-6-18(21)7-5-15/h3-10H,11-12H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9309 kcal/mol

Physical Properties
Molecular Weight: 338.382 g/mol	logS: -4.83552	SlogP: 3.78472	Reactive groups: 0

Topological Properties
Globularity: 0.0465244	Sterimol/B1: 3.13711	Sterimol/B2: 3.58378	Sterimol/B3: 4.14093
Sterimol/B4: 5.46389	Sterimol/L: 17.9587

Surface and Volume Properties
Accessible surface: 571.069	Positive charged surface: 323.888	Negative charged surface: 247.181	Volume: 321
Hydrophobic surface: 479.145	Hydrophilic surface: 91.924

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.