MMsINC Database Search


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MMsINC code: MMs03112542

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccccc1OCCN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C19H19ClN2O3/c1-2-19(14-8-4-3-5-9-14)17(23)22(18(24)21-19)12-13-25-16-11-7-6-10-15(16)20/h3-11H,2,12-13H2,1H3,(H,21,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5675 kcal/mol

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

Topological Properties
Globularity: 0.105125	Sterimol/B1: 2.54907	Sterimol/B2: 3.97944	Sterimol/B3: 4.75786
Sterimol/B4: 6.64993	Sterimol/L: 17.3105

Surface and Volume Properties
Accessible surface: 571.998	Positive charged surface: 308.526	Negative charged surface: 263.472	Volume: 330.75
Hydrophobic surface: 489.354	Hydrophilic surface: 82.644

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.