MMsINC Database Search


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MMsINC code: MMs03343160

Type: Neutral
Formula: C₁₁H₇ClF₇NO

SMILES:

Clc1ccc(cc1)CNC(=O)C(F)(F)C(F)(F)C(F)(F)F

InChI:

InChI=1/C11H7ClF7NO/c12-7-3-1-6(2-4-7)5-20-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5059 kcal/mol

Physical Properties
Molecular Weight: 337.622 g/mol	logS: -4.75497	SlogP: 5.3152	Reactive groups: 1

Topological Properties
Globularity: 0.0815441	Sterimol/B1: 2.7122	Sterimol/B2: 2.97493	Sterimol/B3: 4.00763
Sterimol/B4: 4.79565	Sterimol/L: 15.9135

Surface and Volume Properties
Accessible surface: 479.461	Positive charged surface: 134.907	Negative charged surface: 344.553	Volume: 227.25
Hydrophobic surface: 240.951	Hydrophilic surface: 238.51

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.