MMsINC Database Search


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MMsINC code: MMs02582565

Type: Neutral
Formula: C₂₆H₄₃NO₂

SMILES:

O(CCCC(=O)NC1CCCCCCCCCCC1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C26H43NO2/c1-26(2,3)22-17-19-24(20-18-22)29-21-13-16-25(28)27-23-14-11-9-7-5-4-6-8-10-12-15-23/h17-20,23H,4-16,21H2,1-3H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.969 kcal/mol

Physical Properties
Molecular Weight: 401.635 g/mol	logS: -8.27356	SlogP: 6.9326	Reactive groups: 0

Topological Properties
Globularity: 0.0308702	Sterimol/B1: 3.31743	Sterimol/B2: 3.8341	Sterimol/B3: 4.11135
Sterimol/B4: 6.13045	Sterimol/L: 22.9964

Surface and Volume Properties
Accessible surface: 762.077	Positive charged surface: 555.7	Negative charged surface: 206.377	Volume: 448.75
Hydrophobic surface: 669.773	Hydrophilic surface: 92.304

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.