MMsINC Database Search


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

MMsINC code: MMs00099386

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

Oc1c(cc(cc1C)CN1CCC(CC1)C)C

InChI:

InChI=1/C15H23NO/c1-11-4-6-16(7-5-11)10-14-8-12(2)15(17)13(3)9-14/h8-9,11,17H,4-7,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5704 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -2.48469	SlogP: 3.50734	Reactive groups: 0

Topological Properties
Globularity: 0.125117	Sterimol/B1: 2.18865	Sterimol/B2: 3.7335	Sterimol/B3: 3.88807
Sterimol/B4: 7.2598	Sterimol/L: 14.0891

Surface and Volume Properties
Accessible surface: 492.141	Positive charged surface: 371.259	Negative charged surface: 120.882	Volume: 257
Hydrophobic surface: 426.92	Hydrophilic surface: 65.221

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs00099387
ASINEX-ZINC00249890