MMsINC Database Search


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MMsINC code: MMs01408975

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CC(=O)Nc1ccccc1C(=O)NC1CC1

InChI:

InChI=1/C18H16Cl2N2O2/c19-14-5-3-6-15(20)13(14)10-17(23)22-16-7-2-1-4-12(16)18(24)21-11-8-9-11/h1-7,11H,8-10H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5491 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.58343	SlogP: 4.06677	Reactive groups: 0

Topological Properties
Globularity: 0.0549362	Sterimol/B1: 2.53849	Sterimol/B2: 3.52189	Sterimol/B3: 5.13844
Sterimol/B4: 7.87311	Sterimol/L: 16.963

Surface and Volume Properties
Accessible surface: 602.366	Positive charged surface: 296.482	Negative charged surface: 305.884	Volume: 324.25
Hydrophobic surface: 505.1	Hydrophilic surface: 97.266

Pharmacophoric Properties
Hydrogen bond donors: 2	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.