MMsINC Database Search


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MMsINC code: MMs02475701

Type: Neutral
Formula: C₂₄H₄₆O₂

SMILES:

OC(C(O)C1CCCCCCCCCC1)C1CCCCCCCCCC1

InChI:

InChI=1/C24H46O2/c25-23(21-17-13-9-5-1-2-6-10-14-18-21)24(26)22-19-15-11-7-3-4-8-12-16-20-22/h21-26H,1-20H2/t23-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.157 kcal/mol

Physical Properties
Molecular Weight: 366.63 g/mol	logS: -8.6864	SlogP: 6.7698	Reactive groups: 0

Topological Properties
Globularity: 0.175519	Sterimol/B1: 2.82205	Sterimol/B2: 3.9889	Sterimol/B3: 5.06633
Sterimol/B4: 7.43518	Sterimol/L: 15.5889

Surface and Volume Properties
Accessible surface: 622.396	Positive charged surface: 489.503	Negative charged surface: 132.892	Volume: 413.25
Hydrophobic surface: 568.213	Hydrophilic surface: 54.183

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.