MMsINC Database Search


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MMsINC code: MMs03886981

Type: Neutral
Formula: C₁₆H₂₀O₂

SMILES:

o1c2CCCCc2c2cc(O)c(cc12)C(C)(C)C

InChI:

InChI=1/C16H20O2/c1-16(2,3)12-9-15-11(8-13(12)17)10-6-4-5-7-14(10)18-15/h8-9,17H,4-7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1895 kcal/mol

Physical Properties
Molecular Weight: 244.334 g/mol	logS: -5.2632	SlogP: 4.31464	Reactive groups: 0

Topological Properties
Globularity: 0.059244	Sterimol/B1: 2.20757	Sterimol/B2: 3.48947	Sterimol/B3: 3.74638
Sterimol/B4: 5.86081	Sterimol/L: 14.0112

Surface and Volume Properties
Accessible surface: 472.245	Positive charged surface: 334.527	Negative charged surface: 131.741	Volume: 255.375
Hydrophobic surface: 376.092	Hydrophilic surface: 96.153

Pharmacophoric Properties
Hydrogen bond donors: 1	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.