MMsINC Database Search


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MMsINC code: MMs02848885

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N1(Cc2c(N(c3c1cccc3)C)cccc2)C

InChI:

InChI=1/C15H16N2/c1-16-11-12-7-3-4-8-13(12)17(2)15-10-6-5-9-14(15)16/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.703 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.18596	SlogP: 3.6707	Reactive groups: 0

Topological Properties
Globularity: 0.270493	Sterimol/B1: 2.04751	Sterimol/B2: 3.21501	Sterimol/B3: 5.42372
Sterimol/B4: 5.56029	Sterimol/L: 12.1981

Surface and Volume Properties
Accessible surface: 432.85	Positive charged surface: 296.781	Negative charged surface: 136.069	Volume: 233.375
Hydrophobic surface: 424.313	Hydrophilic surface: 8.537

Pharmacophoric Properties
Hydrogen bond donors: 0	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.