MMsINC Database Search


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MMsINC code: MMs02337681

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

OC(CN(C(=O)c1ccccc1)C1CCCCC1)(C)C

InChI:

InChI=1/C17H25NO2/c1-17(2,20)13-18(15-11-7-4-8-12-15)16(19)14-9-5-3-6-10-14/h3,5-6,9-10,15,20H,4,7-8,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=295.984 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -3.34804	SlogP: 3.2324	Reactive groups: 0

Topological Properties
Globularity: 0.15707	Sterimol/B1: 2.63752	Sterimol/B2: 4.70633	Sterimol/B3: 4.86119
Sterimol/B4: 6.01067	Sterimol/L: 13.2949

Surface and Volume Properties
Accessible surface: 491.033	Positive charged surface: 326.848	Negative charged surface: 164.185	Volume: 282.875
Hydrophobic surface: 412.591	Hydrophilic surface: 78.442

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.