MMsINC Database Search


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MMsINC code: MMs01445215

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)c1cc(ccc1)C)CC(=O)NC(=O)NC(C)(C)C

InChI:

InChI=1/C15H20N2O4/c1-10-6-5-7-11(8-10)13(19)21-9-12(18)16-14(20)17-15(2,3)4/h5-8H,9H2,1-4H3,(H2,16,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.882 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -3.62326	SlogP: 1.77612	Reactive groups: 0

Topological Properties
Globularity: 0.0209695	Sterimol/B1: 3.23341	Sterimol/B2: 3.62159	Sterimol/B3: 3.62703
Sterimol/B4: 5.244	Sterimol/L: 19.1807

Surface and Volume Properties
Accessible surface: 576.793	Positive charged surface: 367.729	Negative charged surface: 209.064	Volume: 284.375
Hydrophobic surface: 393.709	Hydrophilic surface: 183.084

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.