MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01223506

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=C1NC(=O)NC1Cc1ccccc1

InChI:

InChI=1/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.18893 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.96985	SlogP: 0.43707	Reactive groups: 0

Topological Properties
Globularity: 0.0740603	Sterimol/B1: 2.47876	Sterimol/B2: 3.40511	Sterimol/B3: 3.6641
Sterimol/B4: 4.23192	Sterimol/L: 11.8438

Surface and Volume Properties
Accessible surface: 378.306	Positive charged surface: 209.57	Negative charged surface: 168.736	Volume: 177
Hydrophobic surface: 223.736	Hydrophilic surface: 154.57

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.