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MMsINC code: MMs02524572

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccccc1N1CC(CC1=O)C(=O)Nc1ccccc1C

InChI:

InChI=1/C18H17FN2O2/c1-12-6-2-4-8-15(12)20-18(23)13-10-17(22)21(11-13)16-9-5-3-7-14(16)19/h2-9,13H,10-11H2,1H3,(H,20,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0517 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -3.7201	SlogP: 3.12572	Reactive groups: 0

Topological Properties
Globularity: 0.0394313	Sterimol/B1: 1.969	Sterimol/B2: 2.9712	Sterimol/B3: 4.25511
Sterimol/B4: 6.83496	Sterimol/L: 17.3179

Surface and Volume Properties
Accessible surface: 555.252	Positive charged surface: 316.635	Negative charged surface: 238.617	Volume: 294.875
Hydrophobic surface: 491.724	Hydrophilic surface: 63.528

Pharmacophoric Properties
Hydrogen bond donors: 1	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.