MMsINC Database Search


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

MMsINC code: MMs02685501

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

o1cc(c2cc(OC(=O)C)ccc12)C(=O)c1ccc(cc1)C

InChI:

InChI=1/C18H14O4/c1-11-3-5-13(6-4-11)18(20)16-10-21-17-8-7-14(9-15(16)17)22-12(2)19/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8033 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.73046	SlogP: 3.89752	Reactive groups: 0

Topological Properties
Globularity: 0.0264292	Sterimol/B1: 2.90442	Sterimol/B2: 3.22613	Sterimol/B3: 4.10519
Sterimol/B4: 5.64984	Sterimol/L: 17.0822

Surface and Volume Properties
Accessible surface: 542.07	Positive charged surface: 279.909	Negative charged surface: 256.051	Volume: 278.25
Hydrophobic surface: 455.246	Hydrophilic surface: 86.824

Pharmacophoric Properties
Hydrogen bond donors: 0	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.