MMsINC Database Search


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MMsINC code: MMs00602072

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccc(cc1)CCNC(=O)c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5106 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -2.15262	SlogP: 2.06267	Reactive groups: 0

Topological Properties
Globularity: 0.043965	Sterimol/B1: 2.57851	Sterimol/B2: 3.11943	Sterimol/B3: 3.85432
Sterimol/B4: 4.37925	Sterimol/L: 18.4049

Surface and Volume Properties
Accessible surface: 518.234	Positive charged surface: 362.676	Negative charged surface: 155.558	Volume: 259
Hydrophobic surface: 447.777	Hydrophilic surface: 70.457

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.