MMsINC Database Search


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MMsINC code: MMs00623648

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C

InChI:

InChI=1/C18H19FN2O2/c1-12(2)11-20-17(22)14-8-4-6-10-16(14)21-18(23)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2915 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.52673	SlogP: 3.4638	Reactive groups: 0

Topological Properties
Globularity: 0.0338703	Sterimol/B1: 2.39242	Sterimol/B2: 3.6843	Sterimol/B3: 4.55902
Sterimol/B4: 7.04342	Sterimol/L: 16.1862

Surface and Volume Properties
Accessible surface: 570.646	Positive charged surface: 336.854	Negative charged surface: 233.792	Volume: 303.625
Hydrophobic surface: 472.089	Hydrophilic surface: 98.557

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.