MMsINC Database Search


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MMsINC code: MMs01332216

Type: Neutral
Formula: C₁₈H₂₆N₂O₃

SMILES:

O(C(=O)c1ccc(N(C)C)cc1)CC(=O)NC1CCCCCC1

InChI:

InChI=1/C18H26N2O3/c1-20(2)16-11-9-14(10-12-16)18(22)23-13-17(21)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3305 kcal/mol

Physical Properties
Molecular Weight: 318.417 g/mol	logS: -3.85295	SlogP: 2.7484	Reactive groups: 0

Topological Properties
Globularity: 0.0242943	Sterimol/B1: 3.5363	Sterimol/B2: 3.53838	Sterimol/B3: 4.27384
Sterimol/B4: 4.7657	Sterimol/L: 19.7162

Surface and Volume Properties
Accessible surface: 611.648	Positive charged surface: 456.374	Negative charged surface: 155.274	Volume: 324
Hydrophobic surface: 533.268	Hydrophilic surface: 78.38

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.