MMsINC Database Search


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MMsINC code: MMs02252626

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(NC(NC(=O)c1ccccc1)C)c1ccccc1

InChI:

InChI=1/C16H16N2O2/c1-12(17-15(19)13-8-4-2-5-9-13)18-16(20)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.3125 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.67942	SlogP: 2.1924	Reactive groups: 0

Topological Properties
Globularity: 0.123625	Sterimol/B1: 1.969	Sterimol/B2: 3.42579	Sterimol/B3: 4.35823
Sterimol/B4: 7.26525	Sterimol/L: 15.5117

Surface and Volume Properties
Accessible surface: 522.705	Positive charged surface: 291.087	Negative charged surface: 231.618	Volume: 268
Hydrophobic surface: 435.913	Hydrophilic surface: 86.792

Pharmacophoric Properties
Hydrogen bond donors: 2	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.