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MMsINC code: MMs02838200

Type: Neutral
Formula: C₁₇H₁₀ClFN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1ccccc1F

InChI:

InChI=1/C17H10ClFN2O4/c18-13-14(20-10-5-3-4-9(8-10)17(24)25)16(23)21(15(13)22)12-7-2-1-6-11(12)19/h1-8,20H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3679 kcal/mol

Physical Properties
Molecular Weight: 360.728 g/mol	logS: -5.27451	SlogP: 3.0685	Reactive groups: 1

Topological Properties
Globularity: 0.0652367	Sterimol/B1: 2.27066	Sterimol/B2: 3.89253	Sterimol/B3: 5.39106
Sterimol/B4: 5.96282	Sterimol/L: 16.7985

Surface and Volume Properties
Accessible surface: 558.147	Positive charged surface: 244.448	Negative charged surface: 313.7	Volume: 296.25
Hydrophobic surface: 378.119	Hydrophilic surface: 180.028

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02838201
PUBCHEM-ZINC01989600