MMsINC Database Search


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MMsINC code: MMs02105261

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7136 kcal/mol

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

Topological Properties
Globularity: 0.0803516	Sterimol/B1: 2.25343	Sterimol/B2: 2.99239	Sterimol/B3: 3.0755
Sterimol/B4: 7.79879	Sterimol/L: 12.0036

Surface and Volume Properties
Accessible surface: 413.012	Positive charged surface: 190.192	Negative charged surface: 218.069	Volume: 207
Hydrophobic surface: 250.988	Hydrophilic surface: 162.024

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

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Ions/Tautomers related molecules: no related molecules available.