MMsINC Database Search


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MMsINC code: MMs02353382

Type: Neutral
Formula: C₂₄H₃₆O₂

SMILES:

O=C1CCC2(C(CCC3=C2CCC2(C)C3(CCC2C(=O)C)C)C1(C)C)C

InChI:

InChI=1/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h16,19H,7-14H2,1-6H3/t16-,19-,22+,23+,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.178 kcal/mol

Physical Properties
Molecular Weight: 356.55 g/mol	logS: -5.48294	SlogP: 5.8938	Reactive groups: 0

Topological Properties
Globularity: 0.134004	Sterimol/B1: 3.2422	Sterimol/B2: 3.84698	Sterimol/B3: 4.41528
Sterimol/B4: 4.99282	Sterimol/L: 15.4039

Surface and Volume Properties
Accessible surface: 559.048	Positive charged surface: 383.487	Negative charged surface: 175.561	Volume: 374.25
Hydrophobic surface: 440.265	Hydrophilic surface: 118.783

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.