MMsINC Database Search


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MMsINC code: MMs02570399

Type: Neutral
Formula: C₁₉H₂₀ClNO₅

SMILES:

Clc1ccc(NC(=O)c2ccc(OCC(OCCOCC)=O)cc2)cc1

InChI:

InChI=1/C19H20ClNO5/c1-2-24-11-12-25-18(22)13-26-17-9-3-14(4-10-17)19(23)21-16-7-5-15(20)6-8-16/h3-10H,2,11-13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9182 kcal/mol

Physical Properties
Molecular Weight: 377.824 g/mol	logS: -5.01756	SlogP: 3.5508	Reactive groups: 1

Topological Properties
Globularity: 0.0203203	Sterimol/B1: 2.29383	Sterimol/B2: 2.39712	Sterimol/B3: 4.51002
Sterimol/B4: 7.95732	Sterimol/L: 22.7901

Surface and Volume Properties
Accessible surface: 693.705	Positive charged surface: 414.428	Negative charged surface: 279.278	Volume: 347.625
Hydrophobic surface: 576.36	Hydrophilic surface: 117.345

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.