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MMsINC code: MMs01340375

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₄

SMILES:

Clc1ccccc1C(=O)NCC(OCC(=O)Nc1cc(Cl)ccc1C)=O

InChI:

InChI=1/C18H16Cl2N2O4/c1-11-6-7-12(19)8-15(11)22-16(23)10-26-17(24)9-21-18(25)13-4-2-3-5-14(13)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2038 kcal/mol

Physical Properties
Molecular Weight: 395.242 g/mol	logS: -5.56466	SlogP: 3.21352	Reactive groups: 1

Topological Properties
Globularity: 0.00783083	Sterimol/B1: 2.06042	Sterimol/B2: 2.29883	Sterimol/B3: 3.28277
Sterimol/B4: 7.90588	Sterimol/L: 20.6929

Surface and Volume Properties
Accessible surface: 655.432	Positive charged surface: 325.141	Negative charged surface: 330.292	Volume: 339.875
Hydrophobic surface: 536.292	Hydrophilic surface: 119.14

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.