MMsINC Database Search


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MMsINC code: MMs03038841

Type: Neutral
Formula: C₁₄H₁₈N₄

SMILES:

N(N)c1ccc(cc1C)-c1cc(C)c(NN)cc1

InChI:

InChI=1/C14H18N4/c1-9-7-11(3-5-13(9)17-15)12-4-6-14(18-16)10(2)8-12/h3-8,17-18H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.971 kcal/mol

Physical Properties
Molecular Weight: 242.326 g/mol	logS: -3.53382	SlogP: 2.54164	Reactive groups: 0

Topological Properties
Globularity: 0.00800835	Sterimol/B1: 2.30029	Sterimol/B2: 2.51746	Sterimol/B3: 2.5426
Sterimol/B4: 6.79033	Sterimol/L: 15.6063

Surface and Volume Properties
Accessible surface: 484.775	Positive charged surface: 298.287	Negative charged surface: 175.303	Volume: 252
Hydrophobic surface: 321.872	Hydrophilic surface: 162.903

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	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.