MMsINC Database Search


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

MMsINC code: MMs02105260

Type: Neutral
Formula: C₁₁H₁₀ClF₂NO

SMILES:

ClC(F)(F)C(O)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C11H10ClF2NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6536 kcal/mol

Physical Properties
Molecular Weight: 245.656 g/mol	logS: -2.86439	SlogP: 3.9179	Reactive groups: 0

Topological Properties
Globularity: 0.0801262	Sterimol/B1: 2.30538	Sterimol/B2: 2.98086	Sterimol/B3: 3.08915
Sterimol/B4: 7.79795	Sterimol/L: 12.013

Surface and Volume Properties
Accessible surface: 413.881	Positive charged surface: 191.006	Negative charged surface: 218.983	Volume: 207.125
Hydrophobic surface: 251.081	Hydrophilic surface: 162.8

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.