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MMsINC code: MMs00471548

Type: Neutral
Formula: C₁₈H₂₆N₂O₃

SMILES:

O(CCCCCC(C)C)c1ccc(cc1)C1(NC(=O)NC1=O)C

InChI:

InChI=1/C18H26N2O3/c1-13(2)7-5-4-6-12-23-15-10-8-14(9-11-15)18(3)16(21)19-17(22)20-18/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,21,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3926 kcal/mol

Physical Properties
Molecular Weight: 318.417 g/mol	logS: -5.39105	SlogP: 3.6479	Reactive groups: 0

Topological Properties
Globularity: 0.035962	Sterimol/B1: 3.06754	Sterimol/B2: 3.72096	Sterimol/B3: 4.80019
Sterimol/B4: 5.11003	Sterimol/L: 20.0383

Surface and Volume Properties
Accessible surface: 616.74	Positive charged surface: 414.861	Negative charged surface: 201.879	Volume: 326.75
Hydrophobic surface: 414.748	Hydrophilic surface: 201.992

Pharmacophoric Properties
Hydrogen bond donors: 2	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.