MMsINC Database Search


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MMsINC code: MMs02033215

Type: Neutral
Formula: C₁₉H₂₄N₆

SMILES:

n1c(Nc2ccccc2C)c2c(nc1N1CCC(CC1)C)n(nc2)C

InChI:

InChI=1/C19H24N6/c1-13-8-10-25(11-9-13)19-22-17(15-12-20-24(3)18(15)23-19)21-16-7-5-4-6-14(16)2/h4-7,12-13H,8-11H2,1-3H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.757 kcal/mol

Physical Properties
Molecular Weight: 336.443 g/mol	logS: -5.11954	SlogP: 4.01082	Reactive groups: 0

Topological Properties
Globularity: 0.0622411	Sterimol/B1: 2.26087	Sterimol/B2: 4.18111	Sterimol/B3: 5.16402
Sterimol/B4: 9.18635	Sterimol/L: 14.7175

Surface and Volume Properties
Accessible surface: 596.335	Positive charged surface: 444.334	Negative charged surface: 146.712	Volume: 336.75
Hydrophobic surface: 519.854	Hydrophilic surface: 76.481

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.