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MMsINC code: MMs00452068

Type: Neutral
Formula: C₁₆H₂₄N₂O₄

SMILES:

O(C(=O)C(NC(=O)NCCCCCO)Cc1ccccc1)C

InChI:

InChI=1/C16H24N2O4/c1-22-15(20)14(12-13-8-4-2-5-9-13)18-16(21)17-10-6-3-7-11-19/h2,4-5,8-9,14,19H,3,6-7,10-12H2,1H3,(H2,17,18,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.8163 kcal/mol

Physical Properties
Molecular Weight: 308.378 g/mol	logS: -2.24464	SlogP: 1.23247	Reactive groups: 1

Topological Properties
Globularity: 0.0493889	Sterimol/B1: 2.04059	Sterimol/B2: 3.38592	Sterimol/B3: 3.5749
Sterimol/B4: 10.9329	Sterimol/L: 17.1189

Surface and Volume Properties
Accessible surface: 626.493	Positive charged surface: 454.495	Negative charged surface: 171.998	Volume: 308.5
Hydrophobic surface: 488.983	Hydrophilic surface: 137.51

Pharmacophoric Properties
Hydrogen bond donors: 3	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.