MMsINC Database Search


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MMsINC code: MMs00897387

Type: Neutral
Formula: C₂₃H₁₉N₃O₃

SMILES:

O=C1N(Cc2ccc(cc2)C(=O)NCc2ccccc2)C(=O)Nc2c1cccc2

InChI:

InChI=1/C23H19N3O3/c27-21(24-14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-26-22(28)19-8-4-5-9-20(19)25-23(26)29/h1-13H,14-15H2,(H,24,27)(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4045 kcal/mol

Physical Properties
Molecular Weight: 385.423 g/mol	logS: -5.51384	SlogP: 4.3373	Reactive groups: 0

Topological Properties
Globularity: 0.068159	Sterimol/B1: 3.41696	Sterimol/B2: 3.59101	Sterimol/B3: 4.25042
Sterimol/B4: 7.32635	Sterimol/L: 17.8198

Surface and Volume Properties
Accessible surface: 653.647	Positive charged surface: 371.435	Negative charged surface: 282.212	Volume: 364
Hydrophobic surface: 516.466	Hydrophilic surface: 137.181

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.