MMsINC Database Search


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MMsINC code: MMs02791990

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O=C(NO)c1ccccc1-c1ccccc1NC

InChI:

InChI=1/C14H14N2O2/c1-15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(17)16-18/h2-9,15,18H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.755 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.66323	SlogP: 2.5143	Reactive groups: 0

Topological Properties
Globularity: 0.295102	Sterimol/B1: 2.15998	Sterimol/B2: 3.49807	Sterimol/B3: 5.64448
Sterimol/B4: 6.50876	Sterimol/L: 11.9623

Surface and Volume Properties
Accessible surface: 455.658	Positive charged surface: 289.672	Negative charged surface: 164.4	Volume: 234.125
Hydrophobic surface: 352.256	Hydrophilic surface: 103.402

Pharmacophoric Properties
Hydrogen bond donors: 3	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.