MMsINC Database Search


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MMsINC code: MMs02236363

Type: Neutral
Formula: C₁₁H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)C(NN)CC

InChI:

InChI=1/C11H16N2O2/c1-2-10(13-12)11(14)15-8-9-6-4-3-5-7-9/h3-7,10,13H,2,8,12H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.099 kcal/mol

Physical Properties
Molecular Weight: 208.261 g/mol	logS: -1.96688	SlogP: 1.2381	Reactive groups: 0

Topological Properties
Globularity: 0.0864445	Sterimol/B1: 2.37413	Sterimol/B2: 2.90526	Sterimol/B3: 3.96289
Sterimol/B4: 5.46929	Sterimol/L: 13.4875

Surface and Volume Properties
Accessible surface: 446.277	Positive charged surface: 292.092	Negative charged surface: 154.185	Volume: 211.875
Hydrophobic surface: 312.859	Hydrophilic surface: 133.418

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.