MMsINC Database Search


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MMsINC code: MMs00171420

Type: Neutral
Formula: C₁₉H₁₃Cl₂N₃O₂

SMILES:

Clc1ncccc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2)cc1

InChI:

InChI=1/C19H13Cl2N3O2/c20-13-4-1-3-12(11-13)18(25)23-14-6-8-15(9-7-14)24-19(26)16-5-2-10-22-17(16)21/h1-11H,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.849 kcal/mol

Physical Properties
Molecular Weight: 386.238 g/mol	logS: -5.84656	SlogP: 4.893	Reactive groups: 0

Topological Properties
Globularity: 0.0174814	Sterimol/B1: 2.17836	Sterimol/B2: 3.40714	Sterimol/B3: 4.43335
Sterimol/B4: 5.45337	Sterimol/L: 20.585

Surface and Volume Properties
Accessible surface: 618.163	Positive charged surface: 284.336	Negative charged surface: 333.827	Volume: 332.125
Hydrophobic surface: 530.622	Hydrophilic surface: 87.541

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.