MMsINC Database Search


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MMsINC code: MMs01212730

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O1CC(N(C(=O)c2ccccc2)C12CCCCC2)C(=O)NC1CC1

InChI:

InChI=1/C19H24N2O3/c22-17(20-15-9-10-15)16-13-24-19(11-5-2-6-12-19)21(16)18(23)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=283.384 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -3.96855	SlogP: 2.4666	Reactive groups: 0

Topological Properties
Globularity: 0.114033	Sterimol/B1: 3.0387	Sterimol/B2: 3.39432	Sterimol/B3: 4.30958
Sterimol/B4: 8.02198	Sterimol/L: 13.7408

Surface and Volume Properties
Accessible surface: 530.707	Positive charged surface: 368.295	Negative charged surface: 162.412	Volume: 316
Hydrophobic surface: 458.211	Hydrophilic surface: 72.496

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.