MMsINC Database Search


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MMsINC code: MMs00714375

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

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

InChI:

InChI=1/C16H25NO2/c1-4-6-12-17(13-7-5-2)16(18)14-8-10-15(19-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8436 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -3.5638	SlogP: 3.7376	Reactive groups: 0

Topological Properties
Globularity: 0.0571437	Sterimol/B1: 2.44531	Sterimol/B2: 4.1133	Sterimol/B3: 4.36183
Sterimol/B4: 7.32452	Sterimol/L: 16.6753

Surface and Volume Properties
Accessible surface: 545.469	Positive charged surface: 398.101	Negative charged surface: 147.368	Volume: 286.875
Hydrophobic surface: 460.446	Hydrophilic surface: 85.023

Pharmacophoric Properties
Hydrogen bond donors: 0	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.