MMsINC Database Search


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MMsINC code: MMs01265754

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

O1CCCC1CNCC(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C17H26N2O2/c1-14(2)19(13-15-7-4-3-5-8-15)17(20)12-18-11-16-9-6-10-21-16/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.753 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -2.5414	SlogP: 2.4586	Reactive groups: 0

Topological Properties
Globularity: 0.0695076	Sterimol/B1: 2.30356	Sterimol/B2: 3.96944	Sterimol/B3: 5.27918
Sterimol/B4: 7.18796	Sterimol/L: 16.1614

Surface and Volume Properties
Accessible surface: 569.536	Positive charged surface: 414.018	Negative charged surface: 155.519	Volume: 306.75
Hydrophobic surface: 478.245	Hydrophilic surface: 91.291

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.