MMsINC Database Search


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MMsINC code: MMs00292399

Type: Neutral
Formula: C₁₈H₁₇N₃

SMILES:

N(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccccc1

InChI:

InChI=1/C18H17N3/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.633 kcal/mol

Physical Properties
Molecular Weight: 275.355 g/mol	logS: -4.40177	SlogP: 4.3208	Reactive groups: 0

Topological Properties
Globularity: 0.162044	Sterimol/B1: 2.56523	Sterimol/B2: 3.62171	Sterimol/B3: 3.62932
Sterimol/B4: 8.89424	Sterimol/L: 13.5372

Surface and Volume Properties
Accessible surface: 516.678	Positive charged surface: 321.296	Negative charged surface: 195.382	Volume: 285.125
Hydrophobic surface: 392.545	Hydrophilic surface: 124.133

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.