MMsINC Database Search


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MMsINC code: MMs02609154

Type: Neutral
Formula: C₁₉H₁₉N₃

SMILES:

n1cc(cnc1N(Cc1ccccc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C19H19N3/c1-15-8-10-17(11-9-15)18-12-20-19(21-13-18)22(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9611 kcal/mol

Physical Properties
Molecular Weight: 289.382 g/mol	logS: -5.48509	SlogP: 4.35482	Reactive groups: 0

Topological Properties
Globularity: 0.0492389	Sterimol/B1: 2.98057	Sterimol/B2: 3.93984	Sterimol/B3: 4.28119
Sterimol/B4: 5.79023	Sterimol/L: 17.1986

Surface and Volume Properties
Accessible surface: 561.627	Positive charged surface: 369.358	Negative charged surface: 181.367	Volume: 304.75
Hydrophobic surface: 536.838	Hydrophilic surface: 24.789

Pharmacophoric Properties
Hydrogen bond donors: 0	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.