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MMsINC code: MMs00967580

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)N(CC)c2ccccc2C)cc1

InChI:

InChI=1/C20H19ClN2O3/c1-3-23(17-7-5-4-6-12(17)2)18(24)11-15-14-10-13(21)8-9-16(14)22-19(15)20(25)26/h4-10,22H,3,11H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5774 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -4.94454	SlogP: 4.42349	Reactive groups: 0

Topological Properties
Globularity: 0.174506	Sterimol/B1: 2.52008	Sterimol/B2: 4.53715	Sterimol/B3: 5.97849
Sterimol/B4: 7.53033	Sterimol/L: 14.4656

Surface and Volume Properties
Accessible surface: 594.428	Positive charged surface: 311.669	Negative charged surface: 279.728	Volume: 341.375
Hydrophobic surface: 456.885	Hydrophilic surface: 137.543

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00967581
CHEMDIV-ZINC04920534