MMsINC Database Search


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MMsINC code: MMs00604475

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(CC(=O)N(Cc1ccccc1)c1ncccc1)C

InChI:

InChI=1/C15H16N2O2/c1-19-12-15(18)17(14-9-5-6-10-16-14)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8718 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -2.44464	SlogP: 2.5276	Reactive groups: 0

Topological Properties
Globularity: 0.201478	Sterimol/B1: 2.54582	Sterimol/B2: 3.18643	Sterimol/B3: 4.78693
Sterimol/B4: 8.60402	Sterimol/L: 12.5981

Surface and Volume Properties
Accessible surface: 499.959	Positive charged surface: 344.294	Negative charged surface: 155.665	Volume: 257.625
Hydrophobic surface: 453.82	Hydrophilic surface: 46.139

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.