MMsINC Database Search


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

MMsINC code: MMs02896401

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

Nc1cc(ccc1C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C14H23N/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7661 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -4.83147	SlogP: 3.8638	Reactive groups: 0

Topological Properties
Globularity: 0.119501	Sterimol/B1: 2.32936	Sterimol/B2: 3.61878	Sterimol/B3: 3.63108
Sterimol/B4: 5.85113	Sterimol/L: 12.0185

Surface and Volume Properties
Accessible surface: 434.487	Positive charged surface: 301.069	Negative charged surface: 133.418	Volume: 237
Hydrophobic surface: 300.213	Hydrophilic surface: 134.274

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.