MMsINC Database Search


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MMsINC code: MMs03382537

Type: Neutral
Formula: C₁₀H₁₀ClF₂NO₂

SMILES:

ClC(F)(F)C(=O)NCC(O)c1ccccc1

InChI:

InChI=1/C10H10ClF2NO2/c11-10(12,13)9(16)14-6-8(15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.59 kcal/mol

Physical Properties
Molecular Weight: 249.644 g/mol	logS: -2.85305	SlogP: 2.1832	Reactive groups: 0

Topological Properties
Globularity: 0.0807496	Sterimol/B1: 3.08824	Sterimol/B2: 3.59943	Sterimol/B3: 3.62497
Sterimol/B4: 4.05545	Sterimol/L: 14.4911

Surface and Volume Properties
Accessible surface: 438.324	Positive charged surface: 173.066	Negative charged surface: 265.258	Volume: 204.25
Hydrophobic surface: 218.869	Hydrophilic surface: 219.455

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.