MMsINC Database Search


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MMsINC code: MMs00688749

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(CC)c1ccccc1C

InChI:

InChI=1/C20H18Cl2N2O2/c1-4-24(16-11-6-5-8-12(16)2)20(25)17-13(3)26-23-19(17)18-14(21)9-7-10-15(18)22/h5-11H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.834 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -6.56006	SlogP: 5.93194	Reactive groups: 0

Topological Properties
Globularity: 0.236766	Sterimol/B1: 2.47655	Sterimol/B2: 5.29042	Sterimol/B3: 6.35812
Sterimol/B4: 7.24349	Sterimol/L: 13.0442

Surface and Volume Properties
Accessible surface: 551.294	Positive charged surface: 266.96	Negative charged surface: 284.334	Volume: 352.625
Hydrophobic surface: 508.862	Hydrophilic surface: 42.432

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.