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MMsINC code: MMs01870416

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(O)cc1

InChI:

InChI=1/C16H15Cl2NO3/c17-11-3-8-15(14(18)10-11)22-9-1-2-16(21)19-12-4-6-13(20)7-5-12/h3-8,10,20H,1-2,9H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4667 kcal/mol

Physical Properties
Molecular Weight: 340.206 g/mol	logS: -4.62201	SlogP: 4.4967	Reactive groups: 0

Topological Properties
Globularity: 0.0123539	Sterimol/B1: 2.11492	Sterimol/B2: 3.29423	Sterimol/B3: 4.29936
Sterimol/B4: 4.55551	Sterimol/L: 20.4967

Surface and Volume Properties
Accessible surface: 595.895	Positive charged surface: 302.396	Negative charged surface: 293.499	Volume: 299.375
Hydrophobic surface: 501.563	Hydrophilic surface: 94.332

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.