MMsINC Database Search


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MMsINC code: MMs03247257

Type: Neutral
Formula: C₁₁H₁₆N₂O₂

SMILES:

OCC(C(=O)NNc1ccccc1)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9502 kcal/mol

Physical Properties
Molecular Weight: 208.261 g/mol	logS: -1.36718	SlogP: 1.1482	Reactive groups: 0

Topological Properties
Globularity: 0.0584312	Sterimol/B1: 2.37531	Sterimol/B2: 3.07226	Sterimol/B3: 4.80498
Sterimol/B4: 4.87392	Sterimol/L: 14.408

Surface and Volume Properties
Accessible surface: 436.638	Positive charged surface: 269.73	Negative charged surface: 166.908	Volume: 212.5
Hydrophobic surface: 308.805	Hydrophilic surface: 127.833

Pharmacophoric Properties
Hydrogen bond donors: 3	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.