MMsINC Database Search


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MMsINC code: MMs03112543

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccc(OCCN2C(=O)C(NC2=O)(CC)c2ccccc2)cc1

InChI:

InChI=1/C19H19ClN2O3/c1-2-19(14-6-4-3-5-7-14)17(23)22(18(24)21-19)12-13-25-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6915 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.91038	SlogP: 3.8876	Reactive groups: 0

Topological Properties
Globularity: 0.134571	Sterimol/B1: 2.6666	Sterimol/B2: 3.34829	Sterimol/B3: 4.23668
Sterimol/B4: 8.71749	Sterimol/L: 15.6312

Surface and Volume Properties
Accessible surface: 587.119	Positive charged surface: 310.277	Negative charged surface: 276.842	Volume: 331.625
Hydrophobic surface: 495.76	Hydrophilic surface: 91.359

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.