MMsINC Database Search


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

MMsINC code: MMs00111363

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCCCCC1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H20N2O2/c1-12(18)16-14-8-6-13(7-9-14)15(19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4208 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.59039	SlogP: 2.6612	Reactive groups: 0

Topological Properties
Globularity: 0.0846283	Sterimol/B1: 3.34103	Sterimol/B2: 3.3652	Sterimol/B3: 3.71971
Sterimol/B4: 5.19047	Sterimol/L: 14.9346

Surface and Volume Properties
Accessible surface: 491.484	Positive charged surface: 337.896	Negative charged surface: 153.588	Volume: 260.875
Hydrophobic surface: 412.496	Hydrophilic surface: 78.988

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: no related molecules available.