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MMsINC code: MMs00919278

Type: Ionized
Formula: C₁₈H₁₃ClFN₂O₃-

SMILES:

Clc1cc(F)ccc1CNC(=O)Cc1c2c([nH]c1C(=O)[O-])cccc2

InChI:

InChI=1/C18H14ClFN2O3/c19-14-7-11(20)6-5-10(14)9-21-16(23)8-13-12-3-1-2-4-15(12)22-17(13)18(24)25/h1-7,22H,8-9H2,(H,21,23)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.2842 kcal/mol

Physical Properties
Molecular Weight: 359.764 g/mol	logS: -5.06232	SlogP: 2.44917	Reactive groups: 0

Topological Properties
Globularity: 0.0438284	Sterimol/B1: 2.47756	Sterimol/B2: 3.43392	Sterimol/B3: 3.48155
Sterimol/B4: 7.2978	Sterimol/L: 17.0268

Surface and Volume Properties
Accessible surface: 555.613	Positive charged surface: 260.474	Negative charged surface: 289.576	Volume: 307.875
Hydrophobic surface: 433.048	Hydrophilic surface: 122.565

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

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Parent related molecule:

MMs00919277
CHEMDIV-ZINC03906773