MMsINC Database Search


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MMsINC code: MMs02804278

Type: Neutral
Formula: C₁₉H₁₃Cl₂N₃O₂

SMILES:

Clc1ccccc1C(=O)Nc1cc(NC(=O)c2cccnc2Cl)ccc1

InChI:

InChI=1/C19H13Cl2N3O2/c20-16-9-2-1-7-14(16)18(25)23-12-5-3-6-13(11-12)24-19(26)15-8-4-10-22-17(15)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)=119.653 kcal/mol

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

Topological Properties
Globularity: 0.0228291	Sterimol/B1: 2.40014	Sterimol/B2: 4.49727	Sterimol/B3: 4.75487
Sterimol/B4: 6.26419	Sterimol/L: 18.0991

Surface and Volume Properties
Accessible surface: 607.52	Positive charged surface: 293.428	Negative charged surface: 314.092	Volume: 329.875
Hydrophobic surface: 528.233	Hydrophilic surface: 79.287

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.