MMsINC Database Search


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MMsINC code: MMs01987345

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

O=C(C(=O)N(C)C)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C14H16N2O2/c1-9-12(13(17)14(18)15(2)3)10-7-5-6-8-11(10)16(9)4/h5-8H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3317 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -2.25367	SlogP: 2.11682	Reactive groups: 0

Topological Properties
Globularity: 0.0985432	Sterimol/B1: 2.01284	Sterimol/B2: 3.4277	Sterimol/B3: 3.92465
Sterimol/B4: 8.52638	Sterimol/L: 12.4902

Surface and Volume Properties
Accessible surface: 457.288	Positive charged surface: 313.363	Negative charged surface: 140.054	Volume: 243.125
Hydrophobic surface: 396.223	Hydrophilic surface: 61.065

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.