MMsINC Database Search


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MMsINC code: MMs03082129

Type: Neutral
Formula: C₁₇H₁₉N₃

SMILES:

n1c2c(cc3cc(N(C)C)ccc13)c(N(C)C)ccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.846 kcal/mol

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

Topological Properties
Globularity: 0.0392136	Sterimol/B1: 3.56622	Sterimol/B2: 3.58295	Sterimol/B3: 4.38657
Sterimol/B4: 5.35257	Sterimol/L: 14.3866

Surface and Volume Properties
Accessible surface: 514.273	Positive charged surface: 395.546	Negative charged surface: 109.008	Volume: 279.5
Hydrophobic surface: 488.457	Hydrophilic surface: 25.816

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.