MMsINC Database Search


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MMsINC code: MMs03241731

Type: Neutral
Formula: C₁₈H₁₉N₃

SMILES:

[nH]1c(ccc1Cc1ccc(N)cc1)Cc1ccc(N)cc1

InChI:

InChI=1/C18H19N3/c19-15-5-1-13(2-6-15)11-17-9-10-18(21-17)12-14-3-7-16(20)8-4-14/h1-10,21H,11-12,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9777 kcal/mol

Physical Properties
Molecular Weight: 277.371 g/mol	logS: -3.18156	SlogP: 3.36064	Reactive groups: 0

Topological Properties
Globularity: 0.0659754	Sterimol/B1: 2.4276	Sterimol/B2: 3.69967	Sterimol/B3: 4.34948
Sterimol/B4: 5.31524	Sterimol/L: 17.6691

Surface and Volume Properties
Accessible surface: 550.155	Positive charged surface: 364.73	Negative charged surface: 185.425	Volume: 290.75
Hydrophobic surface: 405.931	Hydrophilic surface: 144.224

Pharmacophoric Properties
Hydrogen bond donors: 3	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.