MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00180958

Type: Neutral
Formula: C₁₇H₁₀ClF₃N₂O₃

SMILES:

Clc1ccc(N(C(=O)C(F)(F)F)CN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C17H10ClF3N2O3/c18-10-5-7-11(8-6-10)22(16(26)17(19,20)21)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.263 kcal/mol

Physical Properties
Molecular Weight: 382.725 g/mol	logS: -5.34795	SlogP: 3.9089	Reactive groups: 0

Topological Properties
Globularity: 0.111857	Sterimol/B1: 2.5679	Sterimol/B2: 3.48341	Sterimol/B3: 4.94547
Sterimol/B4: 6.78269	Sterimol/L: 15.4668

Surface and Volume Properties
Accessible surface: 535.266	Positive charged surface: 207.703	Negative charged surface: 327.563	Volume: 292.875
Hydrophobic surface: 358.496	Hydrophilic surface: 176.77

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.