MMsINC Database Search


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MMsINC code: MMs00748205

Type: Neutral
Formula: C₁₉H₂₀ClNO₃

SMILES:

Clc1cc(ccc1C(=O)Nc1ccc(cc1)C(OCCCC)=O)C

InChI:

InChI=1/C19H20ClNO3/c1-3-4-11-24-19(23)14-6-8-15(9-7-14)21-18(22)16-10-5-13(2)12-17(16)20/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.093 kcal/mol

Physical Properties
Molecular Weight: 345.826 g/mol	logS: -5.98901	SlogP: 4.85762	Reactive groups: 0

Topological Properties
Globularity: 0.010809	Sterimol/B1: 2.58769	Sterimol/B2: 2.87488	Sterimol/B3: 3.05853
Sterimol/B4: 5.93211	Sterimol/L: 22.1464

Surface and Volume Properties
Accessible surface: 632.93	Positive charged surface: 375.802	Negative charged surface: 257.128	Volume: 331.25
Hydrophobic surface: 542.841	Hydrophilic surface: 90.089

Pharmacophoric Properties
Hydrogen bond donors: 1	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.