MMsINC Database Search


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

MMsINC code: MMs03029394

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)CCNC(=O)N

InChI:

InChI=1/C10H14N2O2/c1-14-9-4-2-8(3-5-9)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.07806 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.59007	SlogP: 0.90597	Reactive groups: 0

Topological Properties
Globularity: 0.0554073	Sterimol/B1: 2.4316	Sterimol/B2: 3.2178	Sterimol/B3: 3.66336
Sterimol/B4: 4.71052	Sterimol/L: 15.175

Surface and Volume Properties
Accessible surface: 428.092	Positive charged surface: 306.785	Negative charged surface: 121.306	Volume: 192
Hydrophobic surface: 284.973	Hydrophilic surface: 143.119

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.