MMsINC Database Search


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MMsINC code: MMs00638446

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCc1ccccc1

InChI:

InChI=1/C19H16Cl2N2O2/c1-12-16(19(24)22-11-10-13-6-3-2-4-7-13)18(23-25-12)17-14(20)8-5-9-15(17)21/h2-9H,10-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9933 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.18388	SlogP: 4.92929	Reactive groups: 0

Topological Properties
Globularity: 0.0831756	Sterimol/B1: 2.24738	Sterimol/B2: 4.48598	Sterimol/B3: 4.85158
Sterimol/B4: 10.2883	Sterimol/L: 15.01

Surface and Volume Properties
Accessible surface: 616.632	Positive charged surface: 290.664	Negative charged surface: 325.968	Volume: 334.375
Hydrophobic surface: 572.946	Hydrophilic surface: 43.686

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.