MMsINC Database Search


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MMsINC code: MMs02280171

Type: Neutral
Formula: C₁₁H₁₀Cl₂F₄O₂

SMILES:

ClC(F)(F)C(O)(CC(O)c1ccccc1)C(Cl)(F)F

InChI:

InChI=1/C11H10Cl2F4O2/c12-10(14,15)9(19,11(13,16)17)6-8(18)7-4-2-1-3-5-7/h1-5,8,18-19H,6H2/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8242 kcal/mol

Physical Properties
Molecular Weight: 321.097 g/mol	logS: -4.20429	SlogP: 4.4397	Reactive groups: 0

Topological Properties
Globularity: 0.14092	Sterimol/B1: 3.59498	Sterimol/B2: 3.81407	Sterimol/B3: 3.85484
Sterimol/B4: 3.88069	Sterimol/L: 13.1218

Surface and Volume Properties
Accessible surface: 436.025	Positive charged surface: 135.313	Negative charged surface: 300.712	Volume: 233.625
Hydrophobic surface: 189.712	Hydrophilic surface: 246.313

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.