MMsINC Database Search


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

MMsINC code: MMs02310622

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

N(C(C)c1ccccc1)(C)c1ccccc1

InChI:

InChI=1/C15H17N/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9688 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.4074	SlogP: 3.9795	Reactive groups: 0

Topological Properties
Globularity: 0.199764	Sterimol/B1: 2.13983	Sterimol/B2: 2.98604	Sterimol/B3: 5.46988
Sterimol/B4: 5.59175	Sterimol/L: 12.8443

Surface and Volume Properties
Accessible surface: 437.862	Positive charged surface: 264.572	Negative charged surface: 173.29	Volume: 232.75
Hydrophobic surface: 418.637	Hydrophilic surface: 19.225

Pharmacophoric Properties
Hydrogen bond donors: 0	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.