MMsINC Database Search


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MMsINC code: MMs02546933

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)NCc1ccc(N)cc1

InChI:

InChI=1/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.4201 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.09661	SlogP: 3.228	Reactive groups: 0

Topological Properties
Globularity: 0.0778075	Sterimol/B1: 2.21137	Sterimol/B2: 3.62155	Sterimol/B3: 3.62571
Sterimol/B4: 5.88953	Sterimol/L: 16.7986

Surface and Volume Properties
Accessible surface: 528.033	Positive charged surface: 328.45	Negative charged surface: 199.583	Volume: 254.75
Hydrophobic surface: 394.401	Hydrophilic surface: 133.632

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.