MMsINC Database Search


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

MMsINC code: MMs03239288

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

O1c2c(OC1)cc1c(cc(nc1)Cc1cc(OC)c(OC)cc1)c2

InChI:

InChI=1/C19H17NO4/c1-21-16-4-3-12(6-17(16)22-2)5-15-7-13-8-18-19(24-11-23-18)9-14(13)10-20-15/h3-4,6-10H,5,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.557 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -4.01633	SlogP: 3.57147	Reactive groups: 0

Topological Properties
Globularity: 0.0881296	Sterimol/B1: 2.16523	Sterimol/B2: 2.8431	Sterimol/B3: 5.69677
Sterimol/B4: 7.05143	Sterimol/L: 17.4509

Surface and Volume Properties
Accessible surface: 580.266	Positive charged surface: 436.31	Negative charged surface: 133.368	Volume: 304.875
Hydrophobic surface: 503.78	Hydrophilic surface: 76.486

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.