MMsINC Database Search


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MMsINC code: MMs00042235

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

Oc1c(cc(cc1C)C(C)(C)c1cc(C)c(O)c(c1)C)C

InChI:

InChI=1/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4089 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -4.44968	SlogP: 4.65738	Reactive groups: 0

Topological Properties
Globularity: 0.292528	Sterimol/B1: 2.17813	Sterimol/B2: 3.94109	Sterimol/B3: 5.90869
Sterimol/B4: 7.03498	Sterimol/L: 13.497

Surface and Volume Properties
Accessible surface: 551.836	Positive charged surface: 371.329	Negative charged surface: 180.507	Volume: 303.875
Hydrophobic surface: 446.943	Hydrophilic surface: 104.893

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.