MMsINC Database Search


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MMsINC code: MMs03380344

Type: Neutral
Formula: C₁₅H₂₄O₂

SMILES:

O1C2C=C(CCC2(C)C2(CC(O)CC12C)C)C

InChI:

InChI=1/C15H24O2/c1-10-5-6-13(2)12(7-10)17-15(4)9-11(16)8-14(13,15)3/h7,11-12,16H,5-6,8-9H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2014 kcal/mol

Physical Properties
Molecular Weight: 236.355 g/mol	logS: -2.49747	SlogP: 3.0513	Reactive groups: 0

Topological Properties
Globularity: 0.283931	Sterimol/B1: 2.93331	Sterimol/B2: 4.04407	Sterimol/B3: 4.61979
Sterimol/B4: 4.99211	Sterimol/L: 12.3561

Surface and Volume Properties
Accessible surface: 434.619	Positive charged surface: 305.924	Negative charged surface: 128.696	Volume: 249.25
Hydrophobic surface: 315.803	Hydrophilic surface: 118.816

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.