MMsINC Database Search


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MMsINC code: MMs00612937

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=C1NC(=O)CN(C1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.798 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -2.02101	SlogP: 0.1494	Reactive groups: 0

Topological Properties
Globularity: 0.0440107	Sterimol/B1: 2.61684	Sterimol/B2: 2.93403	Sterimol/B3: 3.76624
Sterimol/B4: 4.01032	Sterimol/L: 11.706

Surface and Volume Properties
Accessible surface: 370.379	Positive charged surface: 207.126	Negative charged surface: 163.252	Volume: 175.625
Hydrophobic surface: 225.927	Hydrophilic surface: 144.452

Pharmacophoric Properties
Hydrogen bond donors: 1	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.