MMsINC Database Search


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MMsINC code: MMs01152865

Type: Neutral
Formula: C₁₉H₂₂FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(C(=O)NCCC)c(N(C)C)cc1

InChI:

InChI=1/C19H22FN3O2/c1-4-11-21-19(25)16-12-15(9-10-17(16)23(2)3)22-18(24)13-5-7-14(20)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.072 kcal/mol

Physical Properties
Molecular Weight: 343.402 g/mol	logS: -4.25237	SlogP: 3.2838	Reactive groups: 0

Topological Properties
Globularity: 0.0411329	Sterimol/B1: 2.55819	Sterimol/B2: 3.32584	Sterimol/B3: 3.81184
Sterimol/B4: 10.2192	Sterimol/L: 16.694

Surface and Volume Properties
Accessible surface: 629.447	Positive charged surface: 423.044	Negative charged surface: 206.403	Volume: 333.875
Hydrophobic surface: 537.703	Hydrophilic surface: 91.744

Pharmacophoric Properties
Hydrogen bond donors: 2	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.