MMsINC Database Search


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

MMsINC code: MMs00918064

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1ccc(OC)cc1NC(=O)c1ccc(OCCCC)cc1

InChI:

InChI=1/C19H23NO4/c1-4-5-12-24-15-8-6-14(7-9-15)19(21)20-17-13-16(22-2)10-11-18(17)23-3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.199 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -4.55021	SlogP: 4.135	Reactive groups: 0

Topological Properties
Globularity: 0.013886	Sterimol/B1: 2.64715	Sterimol/B2: 3.16873	Sterimol/B3: 5.31711
Sterimol/B4: 5.3714	Sterimol/L: 20.4277

Surface and Volume Properties
Accessible surface: 637.209	Positive charged surface: 461.787	Negative charged surface: 175.421	Volume: 329.5
Hydrophobic surface: 557.415	Hydrophilic surface: 79.794

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.