MMsINC Database Search


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MMsINC code: MMs02399206

Type: Neutral
Formula: C₁₆H₃₄N₂O₂

SMILES:

O(CCCCCC)C(=O)NC(CCCN(CC)CC)C

InChI:

InChI=1/C16H34N2O2/c1-5-8-9-10-14-20-16(19)17-15(4)12-11-13-18(6-2)7-3/h15H,5-14H2,1-4H3,(H,17,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.630203 kcal/mol

Physical Properties
Molecular Weight: 286.46 g/mol	logS: -3.19763	SlogP: 3.8034	Reactive groups: 0

Topological Properties
Globularity: 0.0282342	Sterimol/B1: 2.74961	Sterimol/B2: 3.57903	Sterimol/B3: 3.87473
Sterimol/B4: 7.86412	Sterimol/L: 20.5354

Surface and Volume Properties
Accessible surface: 665.271	Positive charged surface: 526.004	Negative charged surface: 139.268	Volume: 327.625
Hydrophobic surface: 524.342	Hydrophilic surface: 140.929

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

MMs02399207
NCID-ZINC04742758