MMsINC Database Search


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

MMsINC code: MMs02677573

Type: Neutral
Formula: C₁₀H₁₂N₂O₂

SMILES:

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

InChI:

InChI=1/C10H12N2O2/c1-7-2-4-8(5-3-7)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7152 kcal/mol

Physical Properties
Molecular Weight: 192.218 g/mol	logS: -2.28349	SlogP: 0.21012	Reactive groups: 0

Topological Properties
Globularity: 0.0099472	Sterimol/B1: 2.37764	Sterimol/B2: 2.51212	Sterimol/B3: 3.0482
Sterimol/B4: 4.72861	Sterimol/L: 14.1603

Surface and Volume Properties
Accessible surface: 410.485	Positive charged surface: 249.15	Negative charged surface: 161.335	Volume: 188.625
Hydrophobic surface: 251.614	Hydrophilic surface: 158.871

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.