MMsINC Database Search


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MMsINC code: MMs00867422

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

O=C(C(=O)c1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C16H15NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3008 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.71645	SlogP: 2.8182	Reactive groups: 1

Topological Properties
Globularity: 0.07996	Sterimol/B1: 3.50015	Sterimol/B2: 3.91693	Sterimol/B3: 4.35522
Sterimol/B4: 4.86547	Sterimol/L: 14.8374

Surface and Volume Properties
Accessible surface: 494.641	Positive charged surface: 303.023	Negative charged surface: 191.618	Volume: 255
Hydrophobic surface: 431.75	Hydrophilic surface: 62.891

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.