MMsINC Database Search


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MMsINC code: MMs03276646

Type: Neutral
Formula: C₁₆H₂₃NO₃

SMILES:

O(C(=O)c1ccccc1NC(=O)CCCCCC)CC

InChI:

InChI=1/C16H23NO3/c1-3-5-6-7-12-15(18)17-14-11-9-8-10-13(14)16(19)20-4-2/h8-11H,3-7,12H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3294 kcal/mol

Physical Properties
Molecular Weight: 277.364 g/mol	logS: -4.56592	SlogP: 3.7722	Reactive groups: 0

Topological Properties
Globularity: 0.0180759	Sterimol/B1: 2.56611	Sterimol/B2: 3.40386	Sterimol/B3: 4.71675
Sterimol/B4: 6.63424	Sterimol/L: 18.6896

Surface and Volume Properties
Accessible surface: 587.391	Positive charged surface: 419.394	Negative charged surface: 167.997	Volume: 288.625
Hydrophobic surface: 478.985	Hydrophilic surface: 108.406

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.