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MMsINC code: MMs01894299

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

OC(=O)C1C2c3c(C(c4c2cccc4)C1c1ccccc1)cccc3

InChI:

InChI=1/C23H18O2/c24-23(25)22-19(14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)21(22)18-13-7-5-11-16(18)20/h1-13,19-22H,(H,24,25)/t19-,20-,21+,22+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.9 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -5.0129	SlogP: 4.762	Reactive groups: 0

Topological Properties
Globularity: 0.294556	Sterimol/B1: 3.68793	Sterimol/B2: 4.42157	Sterimol/B3: 4.80665
Sterimol/B4: 7.07883	Sterimol/L: 14.107

Surface and Volume Properties
Accessible surface: 535.951	Positive charged surface: 309.053	Negative charged surface: 226.898	Volume: 317.375
Hydrophobic surface: 459.91	Hydrophilic surface: 76.041

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs01894300
IBS-ZINC04800605