MMsINC Database Search


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MMsINC code: MMs00613838

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

O1C(=C\C(=C/c2ccc(OC)cc2)\C1=O)c1cc2c(cc(cc2)C)cc1

InChI:

InChI=1/C23H18O3/c1-15-3-6-18-13-19(8-7-17(18)11-15)22-14-20(23(24)26-22)12-16-4-9-21(25-2)10-5-16/h3-14H,1-2H3/b20-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.813 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -7.49252	SlogP: 5.13812	Reactive groups: 0

Topological Properties
Globularity: 0.0108863	Sterimol/B1: 2.84495	Sterimol/B2: 2.92134	Sterimol/B3: 3.67938
Sterimol/B4: 4.91726	Sterimol/L: 20.7369

Surface and Volume Properties
Accessible surface: 613.61	Positive charged surface: 363.341	Negative charged surface: 239.491	Volume: 337.25
Hydrophobic surface: 561.34	Hydrophilic surface: 52.27

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.