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MMsINC code: MMs02755883

Type: Neutral
Formula: C₁₄H₈ClFN₂O₂

SMILES:

Clc1cc2nc([nH]c2cc1F)-c1ccc(cc1)C(O)=O

InChI:

InChI=1/C14H8ClFN2O2/c15-9-5-11-12(6-10(9)16)18-13(17-11)7-1-3-8(4-2-7)14(19)20/h1-6H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6309 kcal/mol

Physical Properties
Molecular Weight: 290.681 g/mol	logS: -5.48891	SlogP: 3.7206	Reactive groups: 0

Topological Properties
Globularity: 9.78462e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09838	Sterimol/B3: 2.63379
Sterimol/B4: 5.28234	Sterimol/L: 16.7274

Surface and Volume Properties
Accessible surface: 473.262	Positive charged surface: 211.849	Negative charged surface: 261.413	Volume: 242.375
Hydrophobic surface: 344.95	Hydrophilic surface: 128.312

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02755884
PUBCHEM-ZINC01008971