MMsINC Database Search


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MMsINC code: MMs02583016

Type: Neutral
Formula: C₂₃H₁₈O

SMILES:

Oc1c2c(ccc1C(c1ccccc1)c1ccccc1)cccc2

InChI:

InChI=1/C23H18O/c24-23-20-14-8-7-9-17(20)15-16-21(23)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16,22,24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.249 kcal/mol

Physical Properties
Molecular Weight: 310.396 g/mol	logS: -6.3462	SlogP: 5.7256	Reactive groups: 0

Topological Properties
Globularity: 0.199797	Sterimol/B1: 2.34839	Sterimol/B2: 3.68088	Sterimol/B3: 4.79427
Sterimol/B4: 9.3655	Sterimol/L: 13.9653

Surface and Volume Properties
Accessible surface: 551.535	Positive charged surface: 299.007	Negative charged surface: 242.816	Volume: 318.875
Hydrophobic surface: 518.539	Hydrophilic surface: 32.996

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.