MMsINC Database Search


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MMsINC code: MMs00049029

Type: Neutral
Formula: C₁₉H₂₂O

SMILES:

O=C(Cc1ccccc1)c1c(C)c(C)c(C)c(C)c1C

InChI:

InChI=1/C19H22O/c1-12-13(2)15(4)19(16(5)14(12)3)18(20)11-17-9-7-6-8-10-17/h6-10H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6773 kcal/mol

Physical Properties
Molecular Weight: 266.384 g/mol	logS: -5.88876	SlogP: 4.65407	Reactive groups: 0

Topological Properties
Globularity: 0.0334637	Sterimol/B1: 2.8575	Sterimol/B2: 3.31799	Sterimol/B3: 4.64696
Sterimol/B4: 4.89895	Sterimol/L: 15.1944

Surface and Volume Properties
Accessible surface: 513.147	Positive charged surface: 297.75	Negative charged surface: 215.397	Volume: 291.75
Hydrophobic surface: 492.392	Hydrophilic surface: 20.755

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.