MMsINC Database Search


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MMsINC code: MMs03303818

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂

SMILES:

Clc1cc(ccc1Cl)Cn1c2c(nc1CCCCC)cccc2

InChI:

InChI=1/C19H20Cl2N2/c1-2-3-4-9-19-22-17-7-5-6-8-18(17)23(19)13-14-10-11-15(20)16(21)12-14/h5-8,10-12H,2-4,9,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4548 kcal/mol

Physical Properties
Molecular Weight: 347.289 g/mol	logS: -6.67479	SlogP: 6.39047	Reactive groups: 0

Topological Properties
Globularity: 0.0810629	Sterimol/B1: 3.29772	Sterimol/B2: 3.74344	Sterimol/B3: 6.32607
Sterimol/B4: 6.88592	Sterimol/L: 15.9062

Surface and Volume Properties
Accessible surface: 600.136	Positive charged surface: 317.246	Negative charged surface: 282.891	Volume: 333.5
Hydrophobic surface: 545.934	Hydrophilic surface: 54.202

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.