MMsINC Database Search


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

MMsINC code: MMs02855762

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O(CCN1CCCCC1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C16H24N2O2/c19-16(17-10-9-15-7-3-1-4-8-15)20-14-13-18-11-5-2-6-12-18/h1,3-4,7-8H,2,5-6,9-14H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.6008 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.32134	SlogP: 2.44117	Reactive groups: 0

Topological Properties
Globularity: 0.0494722	Sterimol/B1: 2.89351	Sterimol/B2: 3.62397	Sterimol/B3: 3.89383
Sterimol/B4: 4.85486	Sterimol/L: 17.9617

Surface and Volume Properties
Accessible surface: 578.746	Positive charged surface: 428.991	Negative charged surface: 149.755	Volume: 291.5
Hydrophobic surface: 515.076	Hydrophilic surface: 63.67

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

MMs02855763
PUBCHEM-ZINC02020381