MMsINC Database Search


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

MMsINC code: MMs01451239

Type: Neutral
Formula: C₁₈H₁₇NO₄

SMILES:

O(C(=O)c1cccc(C)c1C)CC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C18H17NO4/c1-12-7-6-10-15(13(12)2)18(22)23-11-16(20)19-17(21)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.246 kcal/mol

Physical Properties
Molecular Weight: 311.337 g/mol	logS: -5.04223	SlogP: 2.41684	Reactive groups: 0

Topological Properties
Globularity: 0.00475273	Sterimol/B1: 2.16326	Sterimol/B2: 2.58329	Sterimol/B3: 3.45672
Sterimol/B4: 5.46861	Sterimol/L: 19.5491

Surface and Volume Properties
Accessible surface: 570.573	Positive charged surface: 324.9	Negative charged surface: 245.672	Volume: 297.125
Hydrophobic surface: 466.676	Hydrophilic surface: 103.897

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.