MMsINC Database Search


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MMsINC code: MMs02215835

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₄

SMILES:

Clc1cc(NC(=O)Nc2ccc(cc2)C(OCC)=O)c(OC)cc1

InChI:

InChI=1/C17H17ClN2O4/c1-3-24-16(21)11-4-7-13(8-5-11)19-17(22)20-14-10-12(18)6-9-15(14)23-2/h4-10H,3H2,1-2H3,(H2,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1112 kcal/mol

Physical Properties
Molecular Weight: 348.786 g/mol	logS: -4.74566	SlogP: 4.1693	Reactive groups: 0

Topological Properties
Globularity: 0.0254269	Sterimol/B1: 2.62173	Sterimol/B2: 3.93006	Sterimol/B3: 4.16016
Sterimol/B4: 6.35832	Sterimol/L: 19.4989

Surface and Volume Properties
Accessible surface: 621.481	Positive charged surface: 381.1	Negative charged surface: 240.38	Volume: 311.625
Hydrophobic surface: 496.99	Hydrophilic surface: 124.491

Pharmacophoric Properties
Hydrogen bond donors: 2	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.