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MMsINC code: MMs01442331

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H15Cl2NO3/c21-15-9-8-14(18(22)10-15)11-23-19(24)12-26-20(25)17-7-3-5-13-4-1-2-6-16(13)17/h1-10H,11-12H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9664 kcal/mol

Physical Properties
Molecular Weight: 388.25 g/mol	logS: -7.05354	SlogP: 4.8862	Reactive groups: 0

Topological Properties
Globularity: 0.0262321	Sterimol/B1: 3.23908	Sterimol/B2: 3.42247	Sterimol/B3: 4.81566
Sterimol/B4: 6.75376	Sterimol/L: 20.5718

Surface and Volume Properties
Accessible surface: 646.935	Positive charged surface: 291.578	Negative charged surface: 344.286	Volume: 341.625
Hydrophobic surface: 566.254	Hydrophilic surface: 80.681

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.