MMsINC Database Search


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MMsINC code: MMs01987346

Type: Neutral
Formula: C₁₄H₁₄N₂O₃

SMILES:

Oc1ccccc1C(=O)NNCc1ccccc1O

InChI:

InChI=1/C14H14N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-8,15,17-18H,9H2,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9152 kcal/mol

Physical Properties
Molecular Weight: 258.277 g/mol	logS: -2.2723	SlogP: 1.7988	Reactive groups: 0

Topological Properties
Globularity: 0.0619968	Sterimol/B1: 2.39883	Sterimol/B2: 3.68409	Sterimol/B3: 4.53773
Sterimol/B4: 5.26517	Sterimol/L: 16.3241

Surface and Volume Properties
Accessible surface: 494.61	Positive charged surface: 286.099	Negative charged surface: 208.511	Volume: 244
Hydrophobic surface: 354.97	Hydrophilic surface: 139.64

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.