MMsINC Database Search


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MMsINC code: MMs02358119

Type: Neutral
Formula: C₁₀H₁₂ClF₂N

SMILES:

Clc1ccc(N(CCF)CCF)cc1

InChI:

InChI=1/C10H12ClF2N/c11-9-1-3-10(4-2-9)14(7-5-12)8-6-13/h1-4H,5-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9123 kcal/mol

Physical Properties
Molecular Weight: 219.662 g/mol	logS: -2.69396	SlogP: 3.0854	Reactive groups: 1

Topological Properties
Globularity: 0.127899	Sterimol/B1: 2.51341	Sterimol/B2: 3.3959	Sterimol/B3: 3.62523
Sterimol/B4: 5.86211	Sterimol/L: 11.1286

Surface and Volume Properties
Accessible surface: 401.86	Positive charged surface: 203.274	Negative charged surface: 198.585	Volume: 196
Hydrophobic surface: 314.54	Hydrophilic surface: 87.32

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.