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MMsINC code: MMs01414570

Type: Neutral
Formula: C₁₅H₁₈Cl₂N₂O₅

SMILES:

Clc1cc(Cl)ccc1OCCCC(OCC(=O)NC(=O)NCC)=O

InChI:

InChI=1/C15H18Cl2N2O5/c1-2-18-15(22)19-13(20)9-24-14(21)4-3-7-23-12-6-5-10(16)8-11(12)17/h5-6,8H,2-4,7,9H2,1H3,(H2,18,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.6622 kcal/mol

Physical Properties
Molecular Weight: 377.224 g/mol	logS: -4.12401	SlogP: 2.5413	Reactive groups: 1

Topological Properties
Globularity: 0.00589497	Sterimol/B1: 2.3753	Sterimol/B2: 2.37765	Sterimol/B3: 4.19903
Sterimol/B4: 4.87895	Sterimol/L: 24.259

Surface and Volume Properties
Accessible surface: 669.597	Positive charged surface: 377.885	Negative charged surface: 291.712	Volume: 323.875
Hydrophobic surface: 495.976	Hydrophilic surface: 173.621

Pharmacophoric Properties
Hydrogen bond donors: 2	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.