MMsINC Database Search


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MMsINC code: MMs02852020

Type: Neutral
Formula: C₁₆H₂₆N₂O₂

SMILES:

O(CCN(CC(=O)Nc1c(cc(cc1C)C)C)CC)C

InChI:

InChI=1/C16H26N2O2/c1-6-18(7-8-20-5)11-15(19)17-16-13(3)9-12(2)10-14(16)4/h9-10H,6-8,11H2,1-5H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.386 kcal/mol

Physical Properties
Molecular Weight: 278.396 g/mol	logS: -2.74957	SlogP: 2.51866	Reactive groups: 0

Topological Properties
Globularity: 0.0967456	Sterimol/B1: 2.25599	Sterimol/B2: 3.14557	Sterimol/B3: 4.49409
Sterimol/B4: 7.62854	Sterimol/L: 14.7603

Surface and Volume Properties
Accessible surface: 570.962	Positive charged surface: 431.717	Negative charged surface: 139.245	Volume: 300.125
Hydrophobic surface: 517.587	Hydrophilic surface: 53.375

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02852021
PUBCHEM-ZINC02015734