MMsINC Database Search


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MMsINC code: MMs03322399

Type: Neutral
Formula: C₁₈H₁₁ClF₃NO₂

SMILES:

Clc1ccc(cc1NC(=O)c1cc2c(cc1O)cccc2)C(F)(F)F

InChI:

InChI=1/C18H11ClF3NO2/c19-14-6-5-12(18(20,21)22)9-15(14)23-17(25)13-7-10-3-1-2-4-11(10)8-16(13)24/h1-9,24H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.709 kcal/mol

Physical Properties
Molecular Weight: 365.738 g/mol	logS: -6.66164	SlogP: 5.7814	Reactive groups: 0

Topological Properties
Globularity: 0.0206535	Sterimol/B1: 2.69284	Sterimol/B2: 3.50045	Sterimol/B3: 3.80981
Sterimol/B4: 6.25197	Sterimol/L: 16.5536

Surface and Volume Properties
Accessible surface: 561.911	Positive charged surface: 212.335	Negative charged surface: 338.504	Volume: 294.125
Hydrophobic surface: 391.013	Hydrophilic surface: 170.898

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.