MMsINC Database Search


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MMsINC code: MMs02520929

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

OC(=O)c1cc(N)c(Nc2ccccc2CC)cc1

InChI:

InChI=1/C15H16N2O2/c1-2-10-5-3-4-6-13(10)17-14-8-7-11(15(18)19)9-12(14)16/h3-9,17H,2,16H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9261 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.37117	SlogP: 3.27297	Reactive groups: 0

Topological Properties
Globularity: 0.056698	Sterimol/B1: 2.70952	Sterimol/B2: 3.09259	Sterimol/B3: 3.30735
Sterimol/B4: 7.09606	Sterimol/L: 13.6255

Surface and Volume Properties
Accessible surface: 484.149	Positive charged surface: 292.297	Negative charged surface: 191.852	Volume: 252.25
Hydrophobic surface: 312.575	Hydrophilic surface: 171.574

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02520930
NIH-ZINC00266527