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MMsINC code: MMs01469922

Type: Neutral
Formula: C₁₇H₂₁Cl₂NO₃

SMILES:

Clc1cccc(Cl)c1CC(OCC(=O)NC1CCC(CC1)C)=O

InChI:

InChI=1/C17H21Cl2NO3/c1-11-5-7-12(8-6-11)20-16(21)10-23-17(22)9-13-14(18)3-2-4-15(13)19/h2-4,11-12H,5-10H2,1H3,(H,20,21)/t11-,12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6491 kcal/mol

Physical Properties
Molecular Weight: 358.265 g/mol	logS: -5.45559	SlogP: 3.77397	Reactive groups: 1

Topological Properties
Globularity: 0.0595788	Sterimol/B1: 2.08947	Sterimol/B2: 2.92801	Sterimol/B3: 4.77624
Sterimol/B4: 6.58957	Sterimol/L: 17.483

Surface and Volume Properties
Accessible surface: 607.274	Positive charged surface: 344.984	Negative charged surface: 262.29	Volume: 322.875
Hydrophobic surface: 520.756	Hydrophilic surface: 86.518

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.