MMsINC Database Search


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MMsINC code: MMs00650027

Type: Neutral
Formula: C₁₈H₁₇F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1

InChI:

InChI=1/C18H17F3N2O2/c1-11(2)16(24)22-13-9-7-12(8-10-13)17(25)23-15-6-4-3-5-14(15)18(19,20)21/h3-11H,1-2H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4734 kcal/mol

Physical Properties
Molecular Weight: 350.34 g/mol	logS: -5.02441	SlogP: 4.8637	Reactive groups: 0

Topological Properties
Globularity: 0.0218038	Sterimol/B1: 3.00487	Sterimol/B2: 3.43648	Sterimol/B3: 3.7764
Sterimol/B4: 5.46129	Sterimol/L: 18.4981

Surface and Volume Properties
Accessible surface: 579.776	Positive charged surface: 291.411	Negative charged surface: 288.365	Volume: 308.125
Hydrophobic surface: 391.114	Hydrophilic surface: 188.662

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.