MMsINC Database Search


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MMsINC code: MMs00586845

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C(N)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C14H12N2O2/c15-13(17)11-8-4-5-9-12(11)16-14(18)10-6-2-1-3-7-10/h1-9H,(H2,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1044 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.60699	SlogP: 2.0378	Reactive groups: 0

Topological Properties
Globularity: 0.018229	Sterimol/B1: 2.53233	Sterimol/B2: 2.58595	Sterimol/B3: 4.53462
Sterimol/B4: 5.24934	Sterimol/L: 13.9991

Surface and Volume Properties
Accessible surface: 446.634	Positive charged surface: 250.811	Negative charged surface: 195.823	Volume: 229.5
Hydrophobic surface: 326.436	Hydrophilic surface: 120.198

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.