MMsINC Database Search


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MMsINC code: MMs03148088

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

O=C(CCC(=O)N(C)C)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C14H16N2O2/c1-16(2)14(18)8-7-13(17)11-9-15-12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1712 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -1.81011	SlogP: 2.219	Reactive groups: 0

Topological Properties
Globularity: 0.011425	Sterimol/B1: 2.37655	Sterimol/B2: 2.52097	Sterimol/B3: 3.51003
Sterimol/B4: 5.02857	Sterimol/L: 16.3531

Surface and Volume Properties
Accessible surface: 477.937	Positive charged surface: 327.579	Negative charged surface: 145.055	Volume: 243.125
Hydrophobic surface: 374.885	Hydrophilic surface: 103.052

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.