MMsINC Database Search


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MMsINC code: MMs03408218

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

O(CCC)c1c2c3c4c(ccc3c3c1cccc3)c(O)ccc4cc2

InChI:

InChI=1/C23H18O2/c1-2-13-25-23-17-6-4-3-5-15(17)16-10-11-18-20(24)12-8-14-7-9-19(23)22(16)21(14)18/h3-12,24H,2,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.182 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -8.56531	SlogP: 6.2316	Reactive groups: 0

Topological Properties
Globularity: 0.03	Sterimol/B1: 2.11428	Sterimol/B2: 3.19641	Sterimol/B3: 3.68205
Sterimol/B4: 8.98411	Sterimol/L: 15.4118

Surface and Volume Properties
Accessible surface: 553.707	Positive charged surface: 304.862	Negative charged surface: 206.933	Volume: 324.375
Hydrophobic surface: 480.64	Hydrophilic surface: 73.067

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.