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MMsINC code: MMs02711398

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1C(Nc1c2c(cc(c1)C)CCC2=O)C(=O)N

InChI:

InChI=1/C18H16Cl2N2O2/c1-9-7-10-5-6-14(23)15(10)13(8-9)22-17(18(21)24)16-11(19)3-2-4-12(16)20/h2-4,7-8,17,22H,5-6H2,1H3,(H2,21,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.008 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.541	SlogP: 4.16469	Reactive groups: 0

Topological Properties
Globularity: 0.0969662	Sterimol/B1: 2.07771	Sterimol/B2: 3.61371	Sterimol/B3: 4.50589
Sterimol/B4: 8.32574	Sterimol/L: 14.0098

Surface and Volume Properties
Accessible surface: 559.326	Positive charged surface: 288.889	Negative charged surface: 270.437	Volume: 316.25
Hydrophobic surface: 449.524	Hydrophilic surface: 109.802

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.