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MMsINC code: MMs03105576

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)-c1n(nc(C)c1C(O)=O)-c1ccc(cc1C)C

InChI:

InChI=1/C19H17ClN2O2/c1-11-4-9-16(12(2)10-11)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10H,1-3H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9097 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -5.58544	SlogP: 4.81616	Reactive groups: 0

Topological Properties
Globularity: 0.122569	Sterimol/B1: 2.80938	Sterimol/B2: 4.05139	Sterimol/B3: 5.63121
Sterimol/B4: 7.82281	Sterimol/L: 13.8792

Surface and Volume Properties
Accessible surface: 580.305	Positive charged surface: 300.579	Negative charged surface: 279.726	Volume: 320.625
Hydrophobic surface: 490.33	Hydrophilic surface: 89.975

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03105577
PUBCHEM-ZINC04237729