MMsINC Database Search


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MMsINC code: MMs03356162

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(CCC)c1ccc(cc1)CC1(C)C(=O)NC(=O)NC1=O

InChI:

InChI=1/C15H18N2O4/c1-3-8-21-11-6-4-10(5-7-11)9-15(2)12(18)16-14(20)17-13(15)19/h4-7H,3,8-9H2,1-2H3,(H2,16,17,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9526 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.89477	SlogP: 1.39017	Reactive groups: 0

Topological Properties
Globularity: 0.0509374	Sterimol/B1: 3.47713	Sterimol/B2: 3.5349	Sterimol/B3: 3.74887
Sterimol/B4: 5.58479	Sterimol/L: 16.1859

Surface and Volume Properties
Accessible surface: 514.696	Positive charged surface: 325.107	Negative charged surface: 189.589	Volume: 268.625
Hydrophobic surface: 309.304	Hydrophilic surface: 205.392

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.