MMsINC Database Search


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

MMsINC code: MMs02278999

Type: Neutral
Formula: C₁₉H₁₄O₄

SMILES:

O1c2c(-c3c(ccc4c3cccc4)C1=O)c(OC)cc(OC)c2

InChI:

InChI=1/C19H14O4/c1-21-12-9-15(22-2)18-16(10-12)23-19(20)14-8-7-11-5-3-4-6-13(11)17(14)18/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.939 kcal/mol

Physical Properties
Molecular Weight: 306.317 g/mol	logS: -6.6702	SlogP: 4.0566	Reactive groups: 0

Topological Properties
Globularity: 0.0529117	Sterimol/B1: 2.47412	Sterimol/B2: 3.97574	Sterimol/B3: 5.38782
Sterimol/B4: 5.90755	Sterimol/L: 14.6936

Surface and Volume Properties
Accessible surface: 503.469	Positive charged surface: 320.091	Negative charged surface: 165.58	Volume: 282.875
Hydrophobic surface: 430.705	Hydrophilic surface: 72.764

Pharmacophoric Properties
Hydrogen bond donors: 0	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.