MMsINC Database Search


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MMsINC code: MMs03547192

Type: Neutral
Formula: C₂₄H₁₈O₂

SMILES:

OC1CCc2c(cc3c4c5c(c6c(cc5ccc24)cccc6)cc3)C1O

InChI:

InChI=1/C24H18O2/c25-21-10-9-17-19-8-5-14-11-13-3-1-2-4-16(13)18-7-6-15(23(19)22(14)18)12-20(17)24(21)26/h1-8,11-12,21,24-26H,9-10H2/t21-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.617 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -8.30202	SlogP: 5.17317	Reactive groups: 0

Topological Properties
Globularity: 0.0121541	Sterimol/B1: 2.84366	Sterimol/B2: 3.05028	Sterimol/B3: 4.86008
Sterimol/B4: 5.3237	Sterimol/L: 17.3161

Surface and Volume Properties
Accessible surface: 554.201	Positive charged surface: 285.304	Negative charged surface: 224.612	Volume: 328.125
Hydrophobic surface: 465.893	Hydrophilic surface: 88.308

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

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Ions/Tautomers related molecules: no related molecules available.