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MMsINC code: MMs02838201

Type: Ionized
Formula: C₁₇H₉ClFN₂O₄-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9466 kcal/mol

Physical Properties
Molecular Weight: 359.72 g/mol	logS: -5.53496	SlogP: 1.7338	Reactive groups: 1

Topological Properties
Globularity: 0.0467852	Sterimol/B1: 2.43555	Sterimol/B2: 2.5793	Sterimol/B3: 4.33987
Sterimol/B4: 8.3099	Sterimol/L: 16.5694

Surface and Volume Properties
Accessible surface: 552.552	Positive charged surface: 226.772	Negative charged surface: 325.78	Volume: 295.375
Hydrophobic surface: 396.474	Hydrophilic surface: 156.078

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02838200
PUBCHEM-ZINC01989600