MMsINC Database Search


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

MMsINC code: MMs01618385

Type: Neutral
Formula: C₁₈H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC(=O)Nc1cc(OC)ccc1)C

InChI:

InChI=1/C18H20N2O4/c1-20(18(22)13-6-4-8-15(10-13)23-2)12-17(21)19-14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.202 kcal/mol

Physical Properties
Molecular Weight: 328.368 g/mol	logS: -3.52221	SlogP: 2.4145	Reactive groups: 0

Topological Properties
Globularity: 0.0301156	Sterimol/B1: 2.11782	Sterimol/B2: 2.42426	Sterimol/B3: 4.7707
Sterimol/B4: 7.21744	Sterimol/L: 19.5486

Surface and Volume Properties
Accessible surface: 598.883	Positive charged surface: 425.734	Negative charged surface: 173.149	Volume: 315.625
Hydrophobic surface: 507.007	Hydrophilic surface: 91.876

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.