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MMsINC code: MMs00967635

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C18H15ClN2O3/c1-10-4-2-3-5-14(10)20-16(22)9-13-12-8-11(19)6-7-15(12)21-17(13)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5115 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -4.72332	SlogP: 4.00909	Reactive groups: 0

Topological Properties
Globularity: 0.135517	Sterimol/B1: 2.27647	Sterimol/B2: 5.15736	Sterimol/B3: 5.97668
Sterimol/B4: 7.55021	Sterimol/L: 14.7036

Surface and Volume Properties
Accessible surface: 573.187	Positive charged surface: 294.564	Negative charged surface: 274.901	Volume: 307.375
Hydrophobic surface: 437.601	Hydrophilic surface: 135.586

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs00967636
CHEMDIV-ZINC04920672