MMsINC Database Search


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MMsINC code: MMs02318949

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

O1CC(COC1(C)c1cc2c(cc1)cccc2)(C)C

InChI:

InChI=1/C17H20O2/c1-16(2)11-18-17(3,19-12-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1879 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -4.65892	SlogP: 4.397	Reactive groups: 0

Topological Properties
Globularity: 0.10444	Sterimol/B1: 3.76003	Sterimol/B2: 3.86515	Sterimol/B3: 4.20821
Sterimol/B4: 4.65019	Sterimol/L: 15.0614

Surface and Volume Properties
Accessible surface: 487.745	Positive charged surface: 308.636	Negative charged surface: 168.752	Volume: 266.375
Hydrophobic surface: 430.233	Hydrophilic surface: 57.512

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.