MMsINC Database Search


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MMsINC code: MMs00589879

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C(Nc1cc(ccc1)C(=O)N)c1ccccc1

InChI:

InChI=1/C14H12N2O2/c15-13(17)11-7-4-8-12(9-11)16-14(18)10-5-2-1-3-6-10/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)=64.6591 kcal/mol

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

Topological Properties
Globularity: 0.0173668	Sterimol/B1: 2.47731	Sterimol/B2: 2.81856	Sterimol/B3: 4.06851
Sterimol/B4: 4.70657	Sterimol/L: 14.9946

Surface and Volume Properties
Accessible surface: 460.464	Positive charged surface: 251.251	Negative charged surface: 209.213	Volume: 231.5
Hydrophobic surface: 316.882	Hydrophilic surface: 143.582

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.