MMsINC Database Search


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MMsINC code: MMs02842405

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)c1ccc(N(C(=O)C)CC(=O)N(C)C)cc1)CC

InChI:

InChI=1/C15H20N2O4/c1-5-21-15(20)12-6-8-13(9-7-12)17(11(2)18)10-14(19)16(3)4/h6-9H,5,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.553 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.26386	SlogP: 1.3044	Reactive groups: 0

Topological Properties
Globularity: 0.102646	Sterimol/B1: 2.39761	Sterimol/B2: 4.09938	Sterimol/B3: 5.51251
Sterimol/B4: 5.78362	Sterimol/L: 16.5855

Surface and Volume Properties
Accessible surface: 564.236	Positive charged surface: 401.314	Negative charged surface: 162.922	Volume: 286.125
Hydrophobic surface: 450.862	Hydrophilic surface: 113.374

Pharmacophoric Properties
Hydrogen bond donors: 0	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.