MMsINC Database Search


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MMsINC code: MMs03039738

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

O(C(=O)C(N)(C)c1cc(ccc1C)C(C)(C)C)CC

InChI:

InChI=1/C16H25NO2/c1-7-19-14(18)16(6,17)13-10-12(15(3,4)5)9-8-11(13)2/h8-10H,7,17H2,1-6H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.26 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -4.60589	SlogP: 3.34102	Reactive groups: 0

Topological Properties
Globularity: 0.105798	Sterimol/B1: 3.18171	Sterimol/B2: 3.62141	Sterimol/B3: 4.6857
Sterimol/B4: 5.41378	Sterimol/L: 15.3099

Surface and Volume Properties
Accessible surface: 519.732	Positive charged surface: 348.168	Negative charged surface: 171.564	Volume: 282.75
Hydrophobic surface: 372.689	Hydrophilic surface: 147.043

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.