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MMsINC code: MMs00281156

Type: Neutral
Formula: C₁₇H₁₈Cl₂N₂O₄

SMILES:

Clc1cc(Cl)cc2C=C(C(=O)NCCCN3CCOCC3)C(Oc12)=O

InChI:

InChI=1/C17H18Cl2N2O4/c18-12-8-11-9-13(17(23)25-15(11)14(19)10-12)16(22)20-2-1-3-21-4-6-24-7-5-21/h8-10H,1-7H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0044 kcal/mol

Physical Properties
Molecular Weight: 385.247 g/mol	logS: -4.81288	SlogP: 2.1343	Reactive groups: 0

Topological Properties
Globularity: 0.01991	Sterimol/B1: 2.97267	Sterimol/B2: 3.21279	Sterimol/B3: 3.36091
Sterimol/B4: 6.39776	Sterimol/L: 20.5048

Surface and Volume Properties
Accessible surface: 623.727	Positive charged surface: 368.452	Negative charged surface: 255.275	Volume: 329.625
Hydrophobic surface: 519.799	Hydrophilic surface: 103.928

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

MMs00281157
ASINEX-ZINC02918313