MMsINC Database Search


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MMsINC code: MMs00156994

Type: Neutral
Formula: C₁₈H₁₃F₃N₂O₃

SMILES:

FC(F)(F)c1cc(NC(=O)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.609 kcal/mol

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

Topological Properties
Globularity: 0.0340059	Sterimol/B1: 2.42384	Sterimol/B2: 4.14438	Sterimol/B3: 4.21177
Sterimol/B4: 4.44404	Sterimol/L: 18.9647

Surface and Volume Properties
Accessible surface: 582.379	Positive charged surface: 266.793	Negative charged surface: 315.586	Volume: 304
Hydrophobic surface: 361.136	Hydrophilic surface: 221.243

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.