MMsINC Database Search


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MMsINC code: MMs02346144

Type: Neutral
Formula: C₂₀H₂₀O₂

SMILES:

O(C(=O)c1c2cc(ccc2c2c(cc(C)c(C)c2C)c1)C)C

InChI:

InChI=1/C20H20O2/c1-11-6-7-16-17(8-11)18(20(21)22-5)10-15-9-12(2)13(3)14(4)19(15)16/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.813 kcal/mol

Physical Properties
Molecular Weight: 292.378 g/mol	logS: -7.41805	SlogP: 5.01328	Reactive groups: 0

Topological Properties
Globularity: 0.0303007	Sterimol/B1: 2.50644	Sterimol/B2: 2.62192	Sterimol/B3: 3.254
Sterimol/B4: 9.64995	Sterimol/L: 13.1189

Surface and Volume Properties
Accessible surface: 543.811	Positive charged surface: 341.346	Negative charged surface: 184.267	Volume: 299.375
Hydrophobic surface: 513.465	Hydrophilic surface: 30.346

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.