MMsINC Database Search


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MMsINC code: MMs00161639

Type: Neutral
Formula: C₁₁H₁₂N₂O₂

SMILES:

O=C1N(N(CC1)c1ccccc1)C(=O)C

InChI:

InChI=1/C11H12N2O2/c1-9(14)13-11(15)7-8-12(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7373 kcal/mol

Physical Properties
Molecular Weight: 204.229 g/mol	logS: -1.67928	SlogP: 1.1868	Reactive groups: 0

Topological Properties
Globularity: 0.160629	Sterimol/B1: 2.5579	Sterimol/B2: 2.56993	Sterimol/B3: 3.92361
Sterimol/B4: 5.89719	Sterimol/L: 11.4201

Surface and Volume Properties
Accessible surface: 388.736	Positive charged surface: 236.332	Negative charged surface: 152.404	Volume: 193.375
Hydrophobic surface: 294.491	Hydrophilic surface: 94.245

Pharmacophoric Properties
Hydrogen bond donors: 0	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.