MMsINC Database Search


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

MMsINC code: MMs02989150

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NC(CCc1ccccc1)C)CCCC

InChI:

InChI=1/C15H23NO/c1-3-4-10-15(17)16-13(2)11-12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,16,17)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6964 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -3.36103	SlogP: 3.31407	Reactive groups: 0

Topological Properties
Globularity: 0.055408	Sterimol/B1: 2.89314	Sterimol/B2: 3.06378	Sterimol/B3: 3.82365
Sterimol/B4: 6.31086	Sterimol/L: 17.1741

Surface and Volume Properties
Accessible surface: 528.212	Positive charged surface: 362.727	Negative charged surface: 165.486	Volume: 264.875
Hydrophobic surface: 450.456	Hydrophilic surface: 77.756

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.