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MMsINC code: MMs02036151

Type: Neutral
Formula: C₁₉H₃₂N₂O₃

SMILES:

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

InChI:

InChI=1/C19H32N2O3/c1-14(22)21-15-7-9-17(10-8-15)24-12-16(23)11-20-19(5,6)13-18(2,3)4/h7-10,16,20,23H,11-13H2,1-6H3,(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.779 kcal/mol

Physical Properties
Molecular Weight: 336.476 g/mol	logS: -3.93817	SlogP: 3.1891	Reactive groups: 0

Topological Properties
Globularity: 0.0377171	Sterimol/B1: 3.70033	Sterimol/B2: 3.91431	Sterimol/B3: 4.17081
Sterimol/B4: 4.38158	Sterimol/L: 20.7687

Surface and Volume Properties
Accessible surface: 639.65	Positive charged surface: 436.477	Negative charged surface: 203.173	Volume: 352.375
Hydrophobic surface: 466.379	Hydrophilic surface: 173.271

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

MMs02036152
IFLAB-ZINC04280288