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MMsINC code: MMs01442048

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O

SMILES:

Fc1cc(cc(F)c1)C(=O)NC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C19H20F2N2O/c20-16-10-15(11-17(21)12-16)19(24)22-18-6-8-23(9-7-18)13-14-4-2-1-3-5-14/h1-5,10-12,18H,6-9,13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2311 kcal/mol

Physical Properties
Molecular Weight: 330.378 g/mol	logS: -4.33914	SlogP: 3.6256	Reactive groups: 0

Topological Properties
Globularity: 0.0841448	Sterimol/B1: 2.53079	Sterimol/B2: 3.2994	Sterimol/B3: 4.60517
Sterimol/B4: 6.50121	Sterimol/L: 17.3384

Surface and Volume Properties
Accessible surface: 584.186	Positive charged surface: 343.615	Negative charged surface: 240.57	Volume: 312.875
Hydrophobic surface: 542.002	Hydrophilic surface: 42.184

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

MMs01442049
ENAMINE-ZINC03437960