MMsINC Database Search


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MMsINC code: MMs00310354

Type: Neutral
Formula: C₁₅H₂₂N₂O₃

SMILES:

o1cccc1CNC(=O)CCCC(=O)N1CCCCC1

InChI:

InChI=1/C15H22N2O3/c18-14(16-12-13-6-5-11-20-13)7-4-8-15(19)17-9-2-1-3-10-17/h5-6,11H,1-4,7-10,12H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.7754 kcal/mol

Physical Properties
Molecular Weight: 278.352 g/mol	logS: -2.06892	SlogP: 2.345	Reactive groups: 0

Topological Properties
Globularity: 0.0311768	Sterimol/B1: 3.07062	Sterimol/B2: 3.0774	Sterimol/B3: 3.67343
Sterimol/B4: 4.95717	Sterimol/L: 18.3632

Surface and Volume Properties
Accessible surface: 562.498	Positive charged surface: 393.687	Negative charged surface: 168.811	Volume: 281.25
Hydrophobic surface: 465.266	Hydrophilic surface: 97.232

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.