MMsINC Database Search


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MMsINC code: MMs00429011

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccccc1CN1c2c(cccc2)C(=O)N(CCCOC)C1=O

InChI:

InChI=1/C19H19ClN2O3/c1-25-12-6-11-21-18(23)15-8-3-5-10-17(15)22(19(21)24)13-14-7-2-4-9-16(14)20/h2-5,7-10H,6,11-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9517 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.57252	SlogP: 4.2253	Reactive groups: 0

Topological Properties
Globularity: 0.0746017	Sterimol/B1: 3.33615	Sterimol/B2: 3.7378	Sterimol/B3: 5.62183
Sterimol/B4: 7.38502	Sterimol/L: 15.6888

Surface and Volume Properties
Accessible surface: 584.752	Positive charged surface: 378.6	Negative charged surface: 206.152	Volume: 327.5
Hydrophobic surface: 520.566	Hydrophilic surface: 64.186

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.