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MMsINC code: MMs01976381

Type: Neutral
Formula: C₁₇H₁₃ClN₂O₃

SMILES:

Clc1ccccc1Nc1c2cc(OC)ccc2ncc1C(O)=O

InChI:

InChI=1/C17H13ClN2O3/c1-23-10-6-7-14-11(8-10)16(12(9-19-14)17(21)22)20-15-5-3-2-4-13(15)18/h2-9H,1H3,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.333 kcal/mol

Physical Properties
Molecular Weight: 328.755 g/mol	logS: -4.34781	SlogP: 4.3386	Reactive groups: 0

Topological Properties
Globularity: 0.130999	Sterimol/B1: 3.35627	Sterimol/B2: 4.52967	Sterimol/B3: 4.54387
Sterimol/B4: 7.50866	Sterimol/L: 12.331

Surface and Volume Properties
Accessible surface: 536.587	Positive charged surface: 315.85	Negative charged surface: 217.472	Volume: 288.5
Hydrophobic surface: 417.659	Hydrophilic surface: 118.928

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

MMs01976382
IFLAB-ZINC00151354