MMsINC Database Search


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MMsINC code: MMs01419905

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

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

InChI:

InChI=1/C11H14N2O3/c1-13(2)9-5-3-8(4-6-9)11(15)16-7-10(12)14/h3-6H,7H2,1-2H3,(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2109 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -1.97258	SlogP: 0.3947	Reactive groups: 0

Topological Properties
Globularity: 0.0105415	Sterimol/B1: 2.51325	Sterimol/B2: 2.51418	Sterimol/B3: 3.41503
Sterimol/B4: 4.56203	Sterimol/L: 15.3475

Surface and Volume Properties
Accessible surface: 454.175	Positive charged surface: 324.938	Negative charged surface: 129.237	Volume: 214.875
Hydrophobic surface: 301.544	Hydrophilic surface: 152.631

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.