MMsINC Database Search


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MMsINC code: MMs02160446

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

o1c(c(cc1-c1ccc(OC)cc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H18O2/c1-24-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(25-22)19-10-6-3-7-11-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.779 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -8.25065	SlogP: 6.2892	Reactive groups: 0

Topological Properties
Globularity: 0.0389204	Sterimol/B1: 3.29772	Sterimol/B2: 3.42018	Sterimol/B3: 5.34203
Sterimol/B4: 6.32035	Sterimol/L: 16.9779

Surface and Volume Properties
Accessible surface: 602.779	Positive charged surface: 370.083	Negative charged surface: 232.697	Volume: 333.75
Hydrophobic surface: 589.997	Hydrophilic surface: 12.782

Pharmacophoric Properties
Hydrogen bond donors: 0	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.