MMsINC Database Search


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MMsINC code: MMs02232933

Type: Neutral
Formula: C₁₄H₂₀O₂

SMILES:

Oc1c(CC=C(C)C)c(C)c(O)c(C)c1C

InChI:

InChI=1/C14H20O2/c1-8(2)6-7-12-11(5)13(15)9(3)10(4)14(12)16/h6,15-16H,7H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8484 kcal/mol

Physical Properties
Molecular Weight: 220.312 g/mol	logS: -2.96135	SlogP: 3.53173	Reactive groups: 0

Topological Properties
Globularity: 0.115572	Sterimol/B1: 3.26966	Sterimol/B2: 3.88687	Sterimol/B3: 4.35487
Sterimol/B4: 5.3275	Sterimol/L: 12.6598

Surface and Volume Properties
Accessible surface: 453.209	Positive charged surface: 303.553	Negative charged surface: 149.656	Volume: 240
Hydrophobic surface: 382.141	Hydrophilic surface: 71.068

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.