MMsINC Database Search


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MMsINC code: MMs02163626

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)/C(=N\O)/N

InChI:

InChI=1/C14H14N2O2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8732 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.2705	SlogP: 2.6265	Reactive groups: 0

Topological Properties
Globularity: 0.0461378	Sterimol/B1: 3.61714	Sterimol/B2: 3.61884	Sterimol/B3: 3.64481
Sterimol/B4: 3.84417	Sterimol/L: 17.0086

Surface and Volume Properties
Accessible surface: 488.479	Positive charged surface: 281.958	Negative charged surface: 206.52	Volume: 239.875
Hydrophobic surface: 347.811	Hydrophilic surface: 140.668

Pharmacophoric Properties
Hydrogen bond donors: 2	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.