MMsINC Database Search


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MMsINC code: MMs03002114

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

O=C(N(CCCC)CCCC)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C17H26N2O2/c1-4-6-12-19(13-7-5-2)17(21)15-8-10-16(11-9-15)18-14(3)20/h8-11H,4-7,12-13H2,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8169 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -3.72287	SlogP: 3.6874	Reactive groups: 0

Topological Properties
Globularity: 0.0580003	Sterimol/B1: 2.47809	Sterimol/B2: 2.47904	Sterimol/B3: 4.57472
Sterimol/B4: 8.99725	Sterimol/L: 17.3508

Surface and Volume Properties
Accessible surface: 583.964	Positive charged surface: 401.157	Negative charged surface: 182.807	Volume: 307.25
Hydrophobic surface: 459.659	Hydrophilic surface: 124.305

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.