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MMsINC code: MMs00178190

Type: Neutral
Formula: C₁₆H₁₅Cl₂N₃O₃

SMILES:

Clc1cc(Cl)ccc1-c1onc(c1)C(=O)N1CCC(CC1)C(=O)N

InChI:

InChI=1/C16H15Cl2N3O3/c17-10-1-2-11(12(18)7-10)14-8-13(20-24-14)16(23)21-5-3-9(4-6-21)15(19)22/h1-2,7-9H,3-6H2,(H2,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2186 kcal/mol

Physical Properties
Molecular Weight: 368.22 g/mol	logS: -4.67547	SlogP: 2.9859	Reactive groups: 0

Topological Properties
Globularity: 0.06025	Sterimol/B1: 2.7532	Sterimol/B2: 3.01371	Sterimol/B3: 5.03607
Sterimol/B4: 5.53375	Sterimol/L: 18.141

Surface and Volume Properties
Accessible surface: 576.717	Positive charged surface: 297.196	Negative charged surface: 279.521	Volume: 307.875
Hydrophobic surface: 422.967	Hydrophilic surface: 153.75

Pharmacophoric Properties
Hydrogen bond donors: 1	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.