MMsINC Database Search


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MMsINC code: MMs00194522

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1C(C)C

InChI:

InChI=1/C20H18Cl2N2O2/c1-11(2)13-7-4-5-10-16(13)23-20(25)17-12(3)26-24-19(17)18-14(21)8-6-9-15(18)22/h4-11H,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.417 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -7.36928	SlogP: 6.33252	Reactive groups: 0

Topological Properties
Globularity: 0.290473	Sterimol/B1: 2.15819	Sterimol/B2: 3.5758	Sterimol/B3: 5.68932
Sterimol/B4: 10.0392	Sterimol/L: 12.6111

Surface and Volume Properties
Accessible surface: 580.614	Positive charged surface: 277.928	Negative charged surface: 302.686	Volume: 350
Hydrophobic surface: 514.435	Hydrophilic surface: 66.179

Pharmacophoric Properties
Hydrogen bond donors: 1	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.