MMsINC Database Search


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MMsINC code: MMs02342535

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

O(c1c(cccc1C)C)c1cc(C)c(OC)c(c1)C

InChI:

InChI=1/C17H20O2/c1-11-7-6-8-12(2)17(11)19-15-9-13(3)16(18-5)14(4)10-15/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3046 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -3.85985	SlogP: 4.72118	Reactive groups: 0

Topological Properties
Globularity: 0.219381	Sterimol/B1: 2.2117	Sterimol/B2: 3.51577	Sterimol/B3: 5.23502
Sterimol/B4: 6.67063	Sterimol/L: 13.7322

Surface and Volume Properties
Accessible surface: 508.222	Positive charged surface: 338.509	Negative charged surface: 169.713	Volume: 273.875
Hydrophobic surface: 502.455	Hydrophilic surface: 5.767

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.