MMsINC Database Search


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MMsINC code: MMs02317361

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=C1NC(=O)N(C)C1c1ccccc1

InChI:

InChI=1/C10H10N2O2/c1-12-8(9(13)11-10(12)14)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,13,14)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.5243 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.80239	SlogP: 1.0048	Reactive groups: 0

Topological Properties
Globularity: 0.259429	Sterimol/B1: 2.17277	Sterimol/B2: 2.59467	Sterimol/B3: 4.63141
Sterimol/B4: 6.50282	Sterimol/L: 10.954

Surface and Volume Properties
Accessible surface: 373.679	Positive charged surface: 228.894	Negative charged surface: 144.785	Volume: 178.875
Hydrophobic surface: 252.226	Hydrophilic surface: 121.453

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.