MMsINC Database Search


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MMsINC code: MMs00146345

Type: Neutral
Formula: C₁₈H₁₃F₃N₂O₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H13F3N2O3/c19-18(20,21)13-7-3-4-8-14(13)22-15(24)9-10-23-16(25)11-5-1-2-6-12(11)17(23)26/h1-8H,9-10H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2248 kcal/mol

Physical Properties
Molecular Weight: 362.307 g/mol	logS: -4.86963	SlogP: 3.6417	Reactive groups: 0

Topological Properties
Globularity: 0.0423224	Sterimol/B1: 3.6484	Sterimol/B2: 3.73306	Sterimol/B3: 3.77233
Sterimol/B4: 5.2125	Sterimol/L: 17.9774

Surface and Volume Properties
Accessible surface: 574.186	Positive charged surface: 263.93	Negative charged surface: 310.256	Volume: 301.25
Hydrophobic surface: 376.755	Hydrophilic surface: 197.431

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.