MMsINC Database Search


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MMsINC code: MMs02887366

Type: Neutral
Formula: C₂₃H₁₉N₃O

SMILES:

O(C)c1ccccc1Cn1c2c(c3nc4c(nc13)cccc4)cccc2C

InChI:

InChI=1/C23H19N3O/c1-15-8-7-10-17-21-23(25-19-12-5-4-11-18(19)24-21)26(22(15)17)14-16-9-3-6-13-20(16)27-2/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.971 kcal/mol

Physical Properties
Molecular Weight: 353.425 g/mol	logS: -6.37184	SlogP: 5.36942	Reactive groups: 0

Topological Properties
Globularity: 0.0961871	Sterimol/B1: 2.8449	Sterimol/B2: 4.43132	Sterimol/B3: 5.42298
Sterimol/B4: 6.94501	Sterimol/L: 14.1079

Surface and Volume Properties
Accessible surface: 570.14	Positive charged surface: 339.728	Negative charged surface: 224.698	Volume: 345.875
Hydrophobic surface: 523.38	Hydrophilic surface: 46.76

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: 0

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Ions/Tautomers related molecules: no related molecules available.