MMsINC Database Search


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MMsINC code: MMs02326291

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O=C1N(N(C(=O)C1=C(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H16N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.546 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.7988	SlogP: 3.3178	Reactive groups: 0

Topological Properties
Globularity: 0.0813323	Sterimol/B1: 3.14451	Sterimol/B2: 3.4625	Sterimol/B3: 4.4872
Sterimol/B4: 7.07726	Sterimol/L: 12.503

Surface and Volume Properties
Accessible surface: 515.942	Positive charged surface: 300.544	Negative charged surface: 215.399	Volume: 285.875
Hydrophobic surface: 457.41	Hydrophilic surface: 58.532

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.