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MMsINC code: MMs01328291

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)COC(=O)CCCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C20H19ClN2O3/c21-16-8-2-4-10-18(16)23-19(24)13-26-20(25)11-5-6-14-12-22-17-9-3-1-7-15(14)17/h1-4,7-10,12,22H,5-6,11,13H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7726 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -4.93239	SlogP: 4.32587	Reactive groups: 1

Topological Properties
Globularity: 0.038649	Sterimol/B1: 2.56139	Sterimol/B2: 3.99831	Sterimol/B3: 4.52837
Sterimol/B4: 6.88327	Sterimol/L: 21.2743

Surface and Volume Properties
Accessible surface: 663.944	Positive charged surface: 369.782	Negative charged surface: 289.443	Volume: 343
Hydrophobic surface: 536.012	Hydrophilic surface: 127.932

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.