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MMsINC code: MMs02363365

Type: Ionized
Formula: C₁₄H₉ClFN₂O₃-

SMILES:

Clc1cc(NC(=O)Nc2ccc(cc2)C(=O)[O-])ccc1F

InChI:

InChI=1/C14H10ClFN2O3/c15-11-7-10(5-6-12(11)16)18-14(21)17-9-3-1-8(2-4-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4958 kcal/mol

Physical Properties
Molecular Weight: 307.688 g/mol	logS: -4.51117	SlogP: 2.4866	Reactive groups: 0

Topological Properties
Globularity: 1.75468e-06	Sterimol/B1: 2.09707	Sterimol/B2: 2.10756	Sterimol/B3: 2.83639
Sterimol/B4: 5.27467	Sterimol/L: 17.4802

Surface and Volume Properties
Accessible surface: 500.593	Positive charged surface: 203.397	Negative charged surface: 297.196	Volume: 257.125
Hydrophobic surface: 354.14	Hydrophilic surface: 146.453

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs02363364
NCID-ZINC01753548