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MMsINC code: MMs00967546

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cc(N(C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2877 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -5.35162	SlogP: 4.68679	Reactive groups: 0

Topological Properties
Globularity: 0.140063	Sterimol/B1: 3.38879	Sterimol/B2: 4.37161	Sterimol/B3: 4.64813
Sterimol/B4: 8.08327	Sterimol/L: 14.5091

Surface and Volume Properties
Accessible surface: 607.525	Positive charged surface: 289.634	Negative charged surface: 313.898	Volume: 342.875
Hydrophobic surface: 488.698	Hydrophilic surface: 118.827

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

MMs00967547
CHEMDIV-ZINC04920461