MMsINC Database Search


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

MMsINC code: MMs02880424

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

N(C(C)C)c1cc(ccc1)C

InChI:

InChI=1/C10H15N/c1-8(2)11-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.3102 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.30968	SlogP: 2.81532	Reactive groups: 0

Topological Properties
Globularity: 0.0784108	Sterimol/B1: 2.50296	Sterimol/B2: 3.1465	Sterimol/B3: 3.34903
Sterimol/B4: 5.44688	Sterimol/L: 11.9362

Surface and Volume Properties
Accessible surface: 377.964	Positive charged surface: 245.583	Negative charged surface: 132.381	Volume: 174.5
Hydrophobic surface: 322.033	Hydrophilic surface: 55.931

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.