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MMsINC code: MMs03167064

Type: Neutral
Formula: C₁₄H₁₈N₂O₄

SMILES:

O(C(=O)C(NC(=O)CNC(=O)C)Cc1ccccc1)C

InChI:

InChI=1/C14H18N2O4/c1-10(17)15-9-13(18)16-12(14(19)20-2)8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4697 kcal/mol

Physical Properties
Molecular Weight: 278.308 g/mol	logS: -2.18058	SlogP: 0.02297	Reactive groups: 0

Topological Properties
Globularity: 0.10656	Sterimol/B1: 2.94953	Sterimol/B2: 4.16759	Sterimol/B3: 6.2763
Sterimol/B4: 6.69779	Sterimol/L: 13.4434

Surface and Volume Properties
Accessible surface: 542.331	Positive charged surface: 356.6	Negative charged surface: 185.731	Volume: 270.125
Hydrophobic surface: 417.552	Hydrophilic surface: 124.779

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.