MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00070287

Type: Neutral
Formula: C₁₈H₁₈N₂

SMILES:

n1c2c(cc(cc2)C)c(Nc2ccc(cc2)C)cc1C

InChI:

InChI=1/C18H18N2/c1-12-4-7-15(8-5-12)20-18-11-14(3)19-17-9-6-13(2)10-16(17)18/h4-11H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5002 kcal/mol

Physical Properties
Molecular Weight: 262.356 g/mol	logS: -4.85497	SlogP: 4.90366	Reactive groups: 0

Topological Properties
Globularity: 0.0348453	Sterimol/B1: 2.83251	Sterimol/B2: 3.14601	Sterimol/B3: 4.13549
Sterimol/B4: 6.72979	Sterimol/L: 15.1315

Surface and Volume Properties
Accessible surface: 523.685	Positive charged surface: 315.975	Negative charged surface: 202.811	Volume: 277.75
Hydrophobic surface: 496.209	Hydrophilic surface: 27.476

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.