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MMsINC code: MMs03292358

Type: Neutral
Formula: C₁₉H₃₂N₂O₃

SMILES:

O(CC(O)CNC(C)C)c1ccc(cc1)C(=O)NCCCCCC

InChI:

InChI=1/C19H32N2O3/c1-4-5-6-7-12-20-19(23)16-8-10-18(11-9-16)24-14-17(22)13-21-15(2)3/h8-11,15,17,21-22H,4-7,12-14H2,1-3H3,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1532 kcal/mol

Physical Properties
Molecular Weight: 336.476 g/mol	logS: -3.87485	SlogP: 2.7344	Reactive groups: 0

Topological Properties
Globularity: 0.0150615	Sterimol/B1: 2.02608	Sterimol/B2: 3.33093	Sterimol/B3: 3.34294
Sterimol/B4: 8.68909	Sterimol/L: 23.4872

Surface and Volume Properties
Accessible surface: 704.907	Positive charged surface: 509.567	Negative charged surface: 195.34	Volume: 359.875
Hydrophobic surface: 535.174	Hydrophilic surface: 169.733

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03292359
PUBCHEM-ZINC05511736