MMsINC Database Search


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

MMsINC code: MMs03054978

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

N1c2c(CC1c1ccccc1)cc(cc2)C

InChI:

InChI=1/C15H15N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2527 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.60703	SlogP: 3.79979	Reactive groups: 0

Topological Properties
Globularity: 0.117027	Sterimol/B1: 2.44139	Sterimol/B2: 3.72185	Sterimol/B3: 4.03601
Sterimol/B4: 4.54133	Sterimol/L: 13.8576

Surface and Volume Properties
Accessible surface: 443.54	Positive charged surface: 275.324	Negative charged surface: 168.216	Volume: 223.875
Hydrophobic surface: 419.602	Hydrophilic surface: 23.938

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.