MMsINC Database Search


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

MMsINC code: MMs02823494

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

O1C2C1c1c(c3c4c5c(cc3)cccc5ccc4c1)C(O)C2O

InChI:

InChI=1/C20H14O3/c21-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.45 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -6.45238	SlogP: 3.6228	Reactive groups: 1

Topological Properties
Globularity: 0.0228131	Sterimol/B1: 2.96152	Sterimol/B2: 3.15211	Sterimol/B3: 3.88723
Sterimol/B4: 6.26038	Sterimol/L: 13.9342

Surface and Volume Properties
Accessible surface: 486.58	Positive charged surface: 255.922	Negative charged surface: 197.695	Volume: 278.875
Hydrophobic surface: 396.883	Hydrophilic surface: 89.697

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.