MMsINC Database Search


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MMsINC code: MMs02471356

Type: Neutral
Formula: C₂₅H₁₈O₂

SMILES:

O1C(c2c(c3cc(ccc3cc2)C)C1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H18O2/c1-17-12-13-18-14-15-22-23(21(18)16-17)24(26)27-25(22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.4 kcal/mol

Physical Properties
Molecular Weight: 350.417 g/mol	logS: -7.77661	SlogP: 5.92202	Reactive groups: 0

Topological Properties
Globularity: 0.219513	Sterimol/B1: 3.41576	Sterimol/B2: 5.86939	Sterimol/B3: 5.87376
Sterimol/B4: 6.04364	Sterimol/L: 14.0337

Surface and Volume Properties
Accessible surface: 589.188	Positive charged surface: 303.29	Negative charged surface: 275.277	Volume: 346.75
Hydrophobic surface: 541.602	Hydrophilic surface: 47.586

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: 0

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Ions/Tautomers related molecules: no related molecules available.