MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00706856

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1c(cccc1C)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.031 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -7.01453	SlogP: 6.07991	Reactive groups: 0

Topological Properties
Globularity: 0.163382	Sterimol/B1: 4.27992	Sterimol/B2: 4.84601	Sterimol/B3: 4.86868
Sterimol/B4: 6.82425	Sterimol/L: 12.9903

Surface and Volume Properties
Accessible surface: 570.205	Positive charged surface: 269.127	Negative charged surface: 301.078	Volume: 350.875
Hydrophobic surface: 515.909	Hydrophilic surface: 54.296

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.