MMsINC Database Search


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MMsINC code: MMs02319970

Type: Neutral
Formula: C₁₇H₂₄N₄

SMILES:

N(C)(C)c1cc(N)c(cc1)Cc1ccc(N(C)C)cc1N

InChI:

InChI=1/C17H24N4/c1-20(2)14-7-5-12(16(18)10-14)9-13-6-8-15(21(3)4)11-17(13)19/h5-8,10-11H,9,18-19H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.462 kcal/mol

Physical Properties
Molecular Weight: 284.407 g/mol	logS: -2.48439	SlogP: 2.57377	Reactive groups: 0

Topological Properties
Globularity: 0.141325	Sterimol/B1: 2.62803	Sterimol/B2: 3.18383	Sterimol/B3: 5.71955
Sterimol/B4: 5.87539	Sterimol/L: 15.1847

Surface and Volume Properties
Accessible surface: 546.072	Positive charged surface: 452.576	Negative charged surface: 93.4963	Volume: 302.875
Hydrophobic surface: 467.877	Hydrophilic surface: 78.195

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.