MMsINC Database Search


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MMsINC code: MMs03519036

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

O(Cc1c2c(ccc1)cccc2)C(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C23H18O2/c24-23(15-19-11-5-9-17-7-1-3-13-21(17)19)25-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5661 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -7.35174	SlogP: 5.54527	Reactive groups: 1

Topological Properties
Globularity: 0.0938176	Sterimol/B1: 2.70437	Sterimol/B2: 2.92488	Sterimol/B3: 6.19605
Sterimol/B4: 6.26651	Sterimol/L: 17.162

Surface and Volume Properties
Accessible surface: 596.214	Positive charged surface: 317.4	Negative charged surface: 259.935	Volume: 327.25
Hydrophobic surface: 568.264	Hydrophilic surface: 27.95

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.