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MMsINC code: MMs01274203

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₅

SMILES:

Clc1cc(Cl)cnc1NC(=O)COC(=O)COc1ccccc1OCC

InChI:

InChI=1/C17H16Cl2N2O5/c1-2-24-13-5-3-4-6-14(13)25-10-16(23)26-9-15(22)21-17-12(19)7-11(18)8-20-17/h3-8H,2,9-10H2,1H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0404 kcal/mol

Physical Properties
Molecular Weight: 399.23 g/mol	logS: -4.73915	SlogP: 3.3478	Reactive groups: 1

Topological Properties
Globularity: 0.00501035	Sterimol/B1: 1.969	Sterimol/B2: 2.37758	Sterimol/B3: 2.3799
Sterimol/B4: 8.72823	Sterimol/L: 20.7163

Surface and Volume Properties
Accessible surface: 673.588	Positive charged surface: 371.18	Negative charged surface: 302.408	Volume: 336.25
Hydrophobic surface: 537.468	Hydrophilic surface: 136.12

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.