MMsINC Database Search


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MMsINC code: MMs00194524

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-10-15(17(23-27-10)16-12(20)7-5-8-13(16)21)18(24)22-14-9-4-3-6-11(14)19(25)26-2/h3-9H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.489 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.5601	SlogP: 4.99572	Reactive groups: 0

Topological Properties
Globularity: 0.311155	Sterimol/B1: 2.11855	Sterimol/B2: 3.17713	Sterimol/B3: 6.28671
Sterimol/B4: 9.65674	Sterimol/L: 12.6879

Surface and Volume Properties
Accessible surface: 590.705	Positive charged surface: 298.615	Negative charged surface: 292.09	Volume: 342.5
Hydrophobic surface: 537.792	Hydrophilic surface: 52.913

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.