MMsINC Database Search


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

MMsINC code: MMs02225462

Type: Neutral
Formula: C₁₉H₁₂O₄

SMILES:

O1c2c(C=C(CC3=Cc4c(OC3=O)cccc4)C1=O)cccc2

InChI:

InChI=1/C19H12O4/c20-18-14(9-12-5-1-3-7-16(12)22-18)11-15-10-13-6-2-4-8-17(13)23-19(15)21/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.27 kcal/mol

Physical Properties
Molecular Weight: 304.301 g/mol	logS: -5.85256	SlogP: 3.3817	Reactive groups: 0

Topological Properties
Globularity: 0.12021	Sterimol/B1: 2.56506	Sterimol/B2: 3.3304	Sterimol/B3: 5.13792
Sterimol/B4: 5.29767	Sterimol/L: 15.3707

Surface and Volume Properties
Accessible surface: 516.348	Positive charged surface: 277.214	Negative charged surface: 239.134	Volume: 280.25
Hydrophobic surface: 420.067	Hydrophilic surface: 96.281

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.