MMsINC Database Search


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

MMsINC code: MMs03018437

Type: Neutral
Formula: C₁₉H₃₃N

SMILES:

N1CCCCC1C=C(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C19H33N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h15-18,20H,1-14H2/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2186 kcal/mol

Physical Properties
Molecular Weight: 275.48 g/mol	logS: -6.21678	SlogP: 5.2155	Reactive groups: 0

Topological Properties
Globularity: 0.179954	Sterimol/B1: 3.75527	Sterimol/B2: 3.7616	Sterimol/B3: 4.01349
Sterimol/B4: 5.94551	Sterimol/L: 14.5715

Surface and Volume Properties
Accessible surface: 527.113	Positive charged surface: 435.754	Negative charged surface: 91.3597	Volume: 311.375
Hydrophobic surface: 504.666	Hydrophilic surface: 22.447

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs03018438
PUBCHEM-ZINC03598256