MMsINC Database Search


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MMsINC code: MMs03456168

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=C(N)C(=Cc1ccccc1)C(=O)N

InChI:

InChI=1/C10H10N2O2/c11-9(13)8(10(12)14)6-7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5421 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -2.43097	SlogP: 0.0406	Reactive groups: 1

Topological Properties
Globularity: 0.100957	Sterimol/B1: 2.68872	Sterimol/B2: 3.30577	Sterimol/B3: 3.61977
Sterimol/B4: 4.21663	Sterimol/L: 12.1319

Surface and Volume Properties
Accessible surface: 378.676	Positive charged surface: 216.587	Negative charged surface: 162.089	Volume: 178.875
Hydrophobic surface: 196.585	Hydrophilic surface: 182.091

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

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Ions/Tautomers related molecules: no related molecules available.