MMsINC Database Search


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MMsINC code: MMs00638273

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₄

SMILES:

Clc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1

InChI:

InChI=1/C19H19ClN2O4/c20-17-4-2-1-3-16(17)19(24)21-14-5-7-15(8-6-14)26-13-18(23)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.098 kcal/mol

Physical Properties
Molecular Weight: 374.824 g/mol	logS: -4.4976	SlogP: 2.8299	Reactive groups: 0

Topological Properties
Globularity: 0.0134888	Sterimol/B1: 2.72082	Sterimol/B2: 2.7611	Sterimol/B3: 3.49131
Sterimol/B4: 6.31281	Sterimol/L: 20.9839

Surface and Volume Properties
Accessible surface: 628.248	Positive charged surface: 385.821	Negative charged surface: 242.426	Volume: 339.75
Hydrophobic surface: 544.549	Hydrophilic surface: 83.699

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.