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MMsINC code: MMs01750783

Type: Neutral
Formula: C₁₈H₂₆N₂O₃

SMILES:

O(C(C)(C)C)C(=O)N1CCCC1C(=O)NCCc1ccccc1

InChI:

InChI=1/C18H26N2O3/c1-18(2,3)23-17(22)20-13-7-10-15(20)16(21)19-12-11-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0893 kcal/mol

Physical Properties
Molecular Weight: 318.417 g/mol	logS: -3.26989	SlogP: 2.74477	Reactive groups: 0

Topological Properties
Globularity: 0.0593574	Sterimol/B1: 2.50839	Sterimol/B2: 2.68327	Sterimol/B3: 4.13522
Sterimol/B4: 8.63269	Sterimol/L: 17.2374

Surface and Volume Properties
Accessible surface: 628.107	Positive charged surface: 432.002	Negative charged surface: 196.105	Volume: 326.875
Hydrophobic surface: 530.242	Hydrophilic surface: 97.865

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.