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MMsINC code: MMs00169519

Type: Neutral
Formula: C₂₀H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(-n2c(C)c(cc2C)\C=N\c2ccc(cc2)C(O)=O)ccc1Cl

InChI:

InChI=1/C20H16Cl2N2O2/c1-12-9-15(11-23-16-5-3-14(4-6-16)20(25)26)13(2)24(12)17-7-8-18(21)19(22)10-17/h3-11H,1-2H3,(H,25,26)/b23-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.535 kcal/mol

Physical Properties
Molecular Weight: 387.266 g/mol	logS: -5.53547	SlogP: 5.84974	Reactive groups: 0

Topological Properties
Globularity: 0.0378207	Sterimol/B1: 2.23356	Sterimol/B2: 2.86811	Sterimol/B3: 4.37108
Sterimol/B4: 8.08987	Sterimol/L: 19.8009

Surface and Volume Properties
Accessible surface: 637.679	Positive charged surface: 304.895	Negative charged surface: 332.783	Volume: 348.375
Hydrophobic surface: 518.713	Hydrophilic surface: 118.966

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00169520
ASINEX-ZINC00799766