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MMsINC code: MMs00967556

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cc(N(C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)CC)ccc1

InChI:

InChI=1/C19H16Cl2N2O3/c1-2-23(13-5-3-4-11(20)8-13)17(24)10-15-14-9-12(21)6-7-16(14)22-18(15)19(25)26/h3-9,22H,2,10H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.92 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -5.51836	SlogP: 4.76847	Reactive groups: 0

Topological Properties
Globularity: 0.193948	Sterimol/B1: 2.53894	Sterimol/B2: 4.39877	Sterimol/B3: 6.59753
Sterimol/B4: 7.90104	Sterimol/L: 14.5967

Surface and Volume Properties
Accessible surface: 606.874	Positive charged surface: 279.52	Negative charged surface: 323.828	Volume: 342
Hydrophobic surface: 463.166	Hydrophilic surface: 143.708

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00967557
CHEMDIV-ZINC04920481