MMsINC Database Search


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MMsINC code: MMs01607982

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C

InChI:

InChI=1/C18H17FN2O2/c1-12-7-9-14(10-8-12)18(2)16(22)21(17(23)20-18)11-13-5-3-4-6-15(13)19/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9914 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.6664	SlogP: 3.67922	Reactive groups: 0

Topological Properties
Globularity: 0.0972774	Sterimol/B1: 3.20633	Sterimol/B2: 3.2387	Sterimol/B3: 4.84733
Sterimol/B4: 5.03236	Sterimol/L: 16.4153

Surface and Volume Properties
Accessible surface: 534.197	Positive charged surface: 300.596	Negative charged surface: 233.601	Volume: 296.375
Hydrophobic surface: 437.797	Hydrophilic surface: 96.4

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.