MMsINC Database Search


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

MMsINC code: MMs03546971

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC1C=Cc2c(cc3c4c2c2c(c5c4c(cc3)ccc5)cccc2)C1O

InChI:

InChI=1/C24H16O2/c25-20-11-10-18-19(24(20)26)12-14-9-8-13-4-3-7-16-15-5-1-2-6-17(15)23(18)22(14)21(13)16/h1-12,20,24-26H/t20-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.376 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.5446	SlogP: 5.2538	Reactive groups: 0

Topological Properties
Globularity: 0.0379776	Sterimol/B1: 2.44713	Sterimol/B2: 3.31542	Sterimol/B3: 3.51925
Sterimol/B4: 9.84523	Sterimol/L: 14.2526

Surface and Volume Properties
Accessible surface: 537.928	Positive charged surface: 283.366	Negative charged surface: 210.623	Volume: 319.375
Hydrophobic surface: 434.775	Hydrophilic surface: 103.153

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.