MMsINC Database Search


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MMsINC code: MMs01177617

Type: Neutral
Formula: C₂₃H₁₉N₃O

SMILES:

O=C(N(Cc1ccccc1)Cc1cccnc1)c1nc2c(cc1)cccc2

InChI:

InChI=1/C23H19N3O/c27-23(22-13-12-20-10-4-5-11-21(20)25-22)26(16-18-7-2-1-3-8-18)17-19-9-6-14-24-15-19/h1-15H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.289 kcal/mol

Physical Properties
Molecular Weight: 353.425 g/mol	logS: -4.44414	SlogP: 5.0052	Reactive groups: 0

Topological Properties
Globularity: 0.156319	Sterimol/B1: 3.07664	Sterimol/B2: 3.16603	Sterimol/B3: 5.13023
Sterimol/B4: 8.54996	Sterimol/L: 15.0345

Surface and Volume Properties
Accessible surface: 592.57	Positive charged surface: 352.257	Negative charged surface: 235.467	Volume: 349.625
Hydrophobic surface: 533.007	Hydrophilic surface: 59.563

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.