MMsINC Database Search


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MMsINC code: MMs01159386

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

o1cc(cc1)C(=O)N1CCCCC1C(=O)NCCCCC

InChI:

InChI=1/C16H24N2O3/c1-2-3-5-9-17-15(19)14-7-4-6-10-18(14)16(20)13-8-11-21-12-13/h8,11-12,14H,2-7,9-10H2,1H3,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6191 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -3.50981	SlogP: 2.5807	Reactive groups: 0

Topological Properties
Globularity: 0.0587513	Sterimol/B1: 3.41358	Sterimol/B2: 3.5378	Sterimol/B3: 5.58248
Sterimol/B4: 6.07848	Sterimol/L: 16.1727

Surface and Volume Properties
Accessible surface: 560.609	Positive charged surface: 387.592	Negative charged surface: 173.017	Volume: 295.125
Hydrophobic surface: 476.035	Hydrophilic surface: 84.574

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.