MMsINC Database Search


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MMsINC code: MMs01793064

Type: Neutral
Formula: C₁₈H₃₂O

SMILES:

OC1CC(C)C(CC1C1CC2CCC1(C)C2(C)C)C

InChI:

InChI=1/C18H32O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h11-16,19H,6-10H2,1-5H3/t11-,12-,13-,14-,15-,16-,18+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.115 kcal/mol

Physical Properties
Molecular Weight: 264.453 g/mol	logS: -6.52425	SlogP: 4.4919	Reactive groups: 0

Topological Properties
Globularity: 0.163487	Sterimol/B1: 2.50967	Sterimol/B2: 3.22945	Sterimol/B3: 4.4949
Sterimol/B4: 5.94356	Sterimol/L: 13.6663

Surface and Volume Properties
Accessible surface: 487.443	Positive charged surface: 363.991	Negative charged surface: 123.452	Volume: 296.75
Hydrophobic surface: 374.348	Hydrophilic surface: 113.095

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 7

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.