MMsINC Database Search


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MMsINC code: MMs02157392

Type: Neutral
Formula: C₂₀H₂₄O₂

SMILES:

O(Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1C(=O)C

InChI:

InChI=1/C20H24O2/c1-12-13(2)15(4)19(16(5)14(12)3)11-22-20-10-8-7-9-18(20)17(6)21/h7-10H,11H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.33 kcal/mol

Physical Properties
Molecular Weight: 296.41 g/mol	logS: -5.88503	SlogP: 5.2767	Reactive groups: 0

Topological Properties
Globularity: 0.187182	Sterimol/B1: 4.6153	Sterimol/B2: 4.73598	Sterimol/B3: 4.76432
Sterimol/B4: 5.43491	Sterimol/L: 15.0729

Surface and Volume Properties
Accessible surface: 557.758	Positive charged surface: 334.556	Negative charged surface: 223.202	Volume: 313.875
Hydrophobic surface: 524.702	Hydrophilic surface: 33.056

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.