MMsINC Database Search


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MMsINC code: MMs03238970

Type: Neutral
Formula: C₂₃H₂₃N₃

SMILES:

n1c2c(ccc(N(C)C)c2)c(c2c1cc(N(C)C)cc2)-c1ccccc1

InChI:

InChI=1/C23H23N3/c1-25(2)17-10-12-19-21(14-17)24-22-15-18(26(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.835 kcal/mol

Physical Properties
Molecular Weight: 341.458 g/mol	logS: -6.1013	SlogP: 5.187	Reactive groups: 0

Topological Properties
Globularity: 0.0376539	Sterimol/B1: 3.3576	Sterimol/B2: 3.48225	Sterimol/B3: 4.15725
Sterimol/B4: 9.00142	Sterimol/L: 16.5366

Surface and Volume Properties
Accessible surface: 618.879	Positive charged surface: 453.604	Negative charged surface: 155.477	Volume: 357
Hydrophobic surface: 592.14	Hydrophilic surface: 26.739

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.