MMsINC Database Search


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MMsINC code: MMs02154118

Type: Neutral
Formula: C₂₄H₁₈O₂

SMILES:

O=C/1c2c(C\C\1=C(/CC(=O)c1ccccc1)\c1ccccc1)cccc2

InChI:

InChI=1/C24H18O2/c25-23(18-11-5-2-6-12-18)16-21(17-9-3-1-4-10-17)22-15-19-13-7-8-14-20(19)24(22)26/h1-14H,15-16H2/b22-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.629 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -6.14773	SlogP: 5.15217	Reactive groups: 1

Topological Properties
Globularity: 0.113546	Sterimol/B1: 2.55063	Sterimol/B2: 3.77865	Sterimol/B3: 3.93233
Sterimol/B4: 10.7469	Sterimol/L: 16.2306

Surface and Volume Properties
Accessible surface: 604.423	Positive charged surface: 332.247	Negative charged surface: 272.176	Volume: 343
Hydrophobic surface: 558.649	Hydrophilic surface: 45.774

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.