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MMsINC code: MMs03447267

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cccc(F)c1CNc1ccc(cc1)C(O)=O

InChI:

InChI=1/C14H11ClFNO2/c15-12-2-1-3-13(16)11(12)8-17-10-6-4-9(5-7-10)14(18)19/h1-7,17H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4366 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -3.94791	SlogP: 4.0558	Reactive groups: 0

Topological Properties
Globularity: 0.0690683	Sterimol/B1: 3.67736	Sterimol/B2: 3.71693	Sterimol/B3: 3.89031
Sterimol/B4: 4.71316	Sterimol/L: 15.983

Surface and Volume Properties
Accessible surface: 484.936	Positive charged surface: 231.42	Negative charged surface: 253.516	Volume: 243.875
Hydrophobic surface: 370.936	Hydrophilic surface: 114

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03447268
PUBCHEM-ZINC05927082