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MMsINC code: MMs00638174

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C19H16Cl2N2O2/c1-3-12-6-4-7-13(10-12)22-19(24)16-11(2)25-23-18(16)17-14(20)8-5-9-15(17)21/h4-10H,3H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7723 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -7.16751	SlogP: 5.77149	Reactive groups: 0

Topological Properties
Globularity: 0.13762	Sterimol/B1: 4.17073	Sterimol/B2: 4.82583	Sterimol/B3: 4.98539
Sterimol/B4: 7.35691	Sterimol/L: 13.4024

Surface and Volume Properties
Accessible surface: 604.054	Positive charged surface: 286.283	Negative charged surface: 317.772	Volume: 334.375
Hydrophobic surface: 540.726	Hydrophilic surface: 63.328

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.