MMsINC Database Search


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MMsINC code: MMs00449336

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

OC(C(O)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.919 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -4.48916	SlogP: 4.0631	Reactive groups: 0

Topological Properties
Globularity: 0.233597	Sterimol/B1: 3.23816	Sterimol/B2: 3.74765	Sterimol/B3: 4.09243
Sterimol/B4: 7.27395	Sterimol/L: 14.2207

Surface and Volume Properties
Accessible surface: 512.71	Positive charged surface: 278.295	Negative charged surface: 234.415	Volume: 294.25
Hydrophobic surface: 463.548	Hydrophilic surface: 49.162

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.