MMsINC Database Search


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MMsINC code: MMs00606698

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

O(C)c1ccccc1CC(=O)NC1CCCCCCC1

InChI:

InChI=1/C17H25NO2/c1-20-16-12-8-7-9-14(16)13-17(19)18-15-10-5-3-2-4-6-11-15/h7-9,12,15H,2-6,10-11,13H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.937 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -4.14444	SlogP: 3.46677	Reactive groups: 0

Topological Properties
Globularity: 0.120151	Sterimol/B1: 2.41316	Sterimol/B2: 3.80547	Sterimol/B3: 4.05009
Sterimol/B4: 7.34484	Sterimol/L: 14.0621

Surface and Volume Properties
Accessible surface: 544.137	Positive charged surface: 408.147	Negative charged surface: 135.99	Volume: 289.25
Hydrophobic surface: 509.465	Hydrophilic surface: 34.672

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.