MMsINC Database Search


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

MMsINC code: MMs01738356

Type: Neutral
Formula: C₁₉H₁₄O₄

SMILES:

O1c2c(cc(cc2)C)C(=CC1=O)c1oc2c(c1)cccc2OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4755 kcal/mol

Physical Properties
Molecular Weight: 306.317 g/mol	logS: -6.67104	SlogP: 3.91781	Reactive groups: 0

Topological Properties
Globularity: 0.109737	Sterimol/B1: 2.12755	Sterimol/B2: 2.95248	Sterimol/B3: 5.01115
Sterimol/B4: 8.90881	Sterimol/L: 13.9975

Surface and Volume Properties
Accessible surface: 548.547	Positive charged surface: 327.512	Negative charged surface: 215.632	Volume: 286.625
Hydrophobic surface: 463.281	Hydrophilic surface: 85.266

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.