MMsINC Database Search


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MMsINC code: MMs02858455

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

O(C(=O)NNC(C)c1ccccc1)C

InChI:

InChI=1/C10H14N2O2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.818 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.63233	SlogP: 1.7037	Reactive groups: 0

Topological Properties
Globularity: 0.104148	Sterimol/B1: 2.24601	Sterimol/B2: 3.44005	Sterimol/B3: 3.5268
Sterimol/B4: 7.06077	Sterimol/L: 12.6524

Surface and Volume Properties
Accessible surface: 415.563	Positive charged surface: 273.85	Negative charged surface: 141.712	Volume: 195.75
Hydrophobic surface: 324.837	Hydrophilic surface: 90.726

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