MMsINC Database Search


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MMsINC code: MMs00017416

Type: Neutral
Formula: C₁₇H₁₉N₃

SMILES:

n1c2cc(N(C)C)ccc2cc2c1cc(N(C)C)cc2

InChI:

InChI=1/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.35 kcal/mol

Physical Properties
Molecular Weight: 265.36 g/mol	logS: -3.67492	SlogP: 3.52	Reactive groups: 0

Topological Properties
Globularity: 0.00917082	Sterimol/B1: 2.51291	Sterimol/B2: 2.51305	Sterimol/B3: 4.16194
Sterimol/B4: 4.73013	Sterimol/L: 16.6336

Surface and Volume Properties
Accessible surface: 517.297	Positive charged surface: 392.414	Negative charged surface: 113.812	Volume: 280.375
Hydrophobic surface: 491.35	Hydrophilic surface: 25.947

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.