MMsINC Database Search


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MMsINC code: MMs01418103

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccc(cc1)CCNC(=O)c1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3783 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -2.30554	SlogP: 2.06267	Reactive groups: 0

Topological Properties
Globularity: 0.0440134	Sterimol/B1: 2.8655	Sterimol/B2: 3.02375	Sterimol/B3: 4.18169
Sterimol/B4: 4.34523	Sterimol/L: 18.4339

Surface and Volume Properties
Accessible surface: 526.471	Positive charged surface: 359.103	Negative charged surface: 167.368	Volume: 256.875
Hydrophobic surface: 450.524	Hydrophilic surface: 75.947

Pharmacophoric Properties
Hydrogen bond donors: 1	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.