MMsINC Database Search


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MMsINC code: MMs00868221

Type: Neutral
Formula: C₂₄H₃₆O

SMILES:

Oc1cc(c(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C24H36O/c25-24-17-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-23(24)20-14-8-3-9-15-20/h16-20,25H,1-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7979 kcal/mol

Physical Properties
Molecular Weight: 340.551 g/mol	logS: -9.55342	SlogP: 7.5353	Reactive groups: 0

Topological Properties
Globularity: 0.126213	Sterimol/B1: 3.67499	Sterimol/B2: 3.70587	Sterimol/B3: 5.39606
Sterimol/B4: 6.87131	Sterimol/L: 16.2302

Surface and Volume Properties
Accessible surface: 626.31	Positive charged surface: 495.678	Negative charged surface: 130.632	Volume: 376.25
Hydrophobic surface: 583.879	Hydrophilic surface: 42.431

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

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Ions/Tautomers related molecules: no related molecules available.