MMsINC Database Search


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MMsINC code: MMs02406978

Type: Neutral
Formula: C₂₃H₁₈O

SMILES:

OC(c1c2c(ccc1)cccc2)(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.456 kcal/mol

Physical Properties
Molecular Weight: 310.396 g/mol	logS: -6.56958	SlogP: 5.4355	Reactive groups: 0

Topological Properties
Globularity: 0.24136	Sterimol/B1: 4.02372	Sterimol/B2: 4.31354	Sterimol/B3: 4.53237
Sterimol/B4: 7.34933	Sterimol/L: 14.1664

Surface and Volume Properties
Accessible surface: 536.174	Positive charged surface: 290.807	Negative charged surface: 238.026	Volume: 314
Hydrophobic surface: 516.329	Hydrophilic surface: 19.845

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.