MMsINC Database Search


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MMsINC code: MMs00262522

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

O(C)c1ccccc1CNC(=O)C(CCCC)CC

InChI:

InChI=1/C16H25NO2/c1-4-6-9-13(5-2)16(18)17-12-14-10-7-8-11-15(14)19-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,17,18)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0584 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -4.05317	SlogP: 3.7942	Reactive groups: 0

Topological Properties
Globularity: 0.0627046	Sterimol/B1: 2.36721	Sterimol/B2: 4.22354	Sterimol/B3: 4.68973
Sterimol/B4: 5.53648	Sterimol/L: 16.8779

Surface and Volume Properties
Accessible surface: 552.441	Positive charged surface: 402.311	Negative charged surface: 150.13	Volume: 287.125
Hydrophobic surface: 467.705	Hydrophilic surface: 84.736

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: no related molecules available.