MMsINC Database Search


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MMsINC code: MMs01152604

Type: Neutral
Formula: C₂₄H₁₉N₃O

SMILES:

O=C(N1CCc2c(C1)cccc2)c1cc(nc2c1cccc2)-c1ccncc1

InChI:

InChI=1/C24H19N3O/c28-24(27-14-11-17-5-1-2-6-19(17)16-27)21-15-23(18-9-12-25-13-10-18)26-22-8-4-3-7-20(21)22/h1-10,12-13,15H,11,14,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.694 kcal/mol

Physical Properties
Molecular Weight: 365.436 g/mol	logS: -5.10237	SlogP: 4.76167	Reactive groups: 0

Topological Properties
Globularity: 0.162311	Sterimol/B1: 2.61602	Sterimol/B2: 4.77583	Sterimol/B3: 6.15829
Sterimol/B4: 8.39513	Sterimol/L: 14.9225

Surface and Volume Properties
Accessible surface: 618.33	Positive charged surface: 380.74	Negative charged surface: 226.735	Volume: 355.625
Hydrophobic surface: 558.819	Hydrophilic surface: 59.511

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.