MMsINC Database Search


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MMsINC code: MMs01321281

Type: Neutral
Formula: C₂₂H₁₆Cl₂N₂O

SMILES:

Clc1cc(N\2Cc3c(cccc3)/C/2=N/C(=O)c2ccc(cc2)C)cc(Cl)c1

InChI:

InChI=1/C22H16Cl2N2O/c1-14-6-8-15(9-7-14)22(27)25-21-20-5-3-2-4-16(20)13-26(21)19-11-17(23)10-18(24)12-19/h2-12H,13H2,1H3/b25-21-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.163 kcal/mol

Physical Properties
Molecular Weight: 395.289 g/mol	logS: -7.56376	SlogP: 6.17542	Reactive groups: 0

Topological Properties
Globularity: 0.0722715	Sterimol/B1: 2.85374	Sterimol/B2: 3.65771	Sterimol/B3: 4.0521
Sterimol/B4: 9.45956	Sterimol/L: 15.9836

Surface and Volume Properties
Accessible surface: 599.728	Positive charged surface: 300.634	Negative charged surface: 299.094	Volume: 356.625
Hydrophobic surface: 563.519	Hydrophilic surface: 36.209

Pharmacophoric Properties
Hydrogen bond donors: 0	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.