MMsINC Database Search


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MMsINC code: MMs02337667

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

OC(CN(C(=O)c1ccccc1)C(CC)CC)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=218.362 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -2.93486	SlogP: 3.0883	Reactive groups: 0

Topological Properties
Globularity: 0.31113	Sterimol/B1: 2.53384	Sterimol/B2: 2.54239	Sterimol/B3: 6.54799
Sterimol/B4: 7.16646	Sterimol/L: 12.2949

Surface and Volume Properties
Accessible surface: 471.168	Positive charged surface: 309.121	Negative charged surface: 162.047	Volume: 275.5
Hydrophobic surface: 366.45	Hydrophilic surface: 104.718

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.