MMsINC Database Search


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MMsINC code: MMs03951787

Type: Neutral
Formula: C₁₉H₁₄ClN₃O₂

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccncc1

InChI:

InChI=1/C19H14ClN3O2/c20-16-7-3-1-5-14(16)18(24)23-17-8-4-2-6-15(17)19(25)22-13-9-11-21-12-10-13/h1-12H,(H,23,24)(H,21,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.783 kcal/mol

Physical Properties
Molecular Weight: 351.793 g/mol	logS: -4.80101	SlogP: 4.2396	Reactive groups: 0

Topological Properties
Globularity: 0.023514	Sterimol/B1: 2.62308	Sterimol/B2: 2.79577	Sterimol/B3: 3.24673
Sterimol/B4: 9.88798	Sterimol/L: 15.6959

Surface and Volume Properties
Accessible surface: 582.709	Positive charged surface: 327.19	Negative charged surface: 255.519	Volume: 315.875
Hydrophobic surface: 518.215	Hydrophilic surface: 64.494

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.