MMsINC Database Search


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MMsINC code: MMs02644867

Type: Neutral
Formula: C₁₆H₂₂N₄

SMILES:

N(C)(C)c1ccc(NNc2ccc(N(C)C)cc2)cc1

InChI:

InChI=1/C16H22N4/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(3)4/h5-12,17-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.534 kcal/mol

Physical Properties
Molecular Weight: 270.38 g/mol	logS: -2.37574	SlogP: 3.2576	Reactive groups: 0

Topological Properties
Globularity: 0.00618449	Sterimol/B1: 2.50818	Sterimol/B2: 2.56859	Sterimol/B3: 2.90395
Sterimol/B4: 5.06924	Sterimol/L: 18.3637

Surface and Volume Properties
Accessible surface: 555.541	Positive charged surface: 417.177	Negative charged surface: 138.364	Volume: 290.25
Hydrophobic surface: 534.208	Hydrophilic surface: 21.333

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.