MMsINC Database Search


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MMsINC code: MMs03240668

Type: Neutral
Formula: C₂₃H₂₅N₃

SMILES:

N(C)(C)c1ccc(cc1)C(=Nc1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H25N3/c1-25(2)21-14-10-18(11-15-21)23(24-20-8-6-5-7-9-20)19-12-16-22(17-13-19)26(3)4/h5-17H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.934 kcal/mol

Physical Properties
Molecular Weight: 343.474 g/mol	logS: -5.23114	SlogP: 4.9877	Reactive groups: 0

Topological Properties
Globularity: 0.0599221	Sterimol/B1: 3.53443	Sterimol/B2: 3.69504	Sterimol/B3: 5.762
Sterimol/B4: 6.50741	Sterimol/L: 16.4691

Surface and Volume Properties
Accessible surface: 642.497	Positive charged surface: 485.939	Negative charged surface: 156.558	Volume: 367.125
Hydrophobic surface: 635.449	Hydrophilic surface: 7.048

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.