MMsINC Database Search


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MMsINC code: MMs02108473

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O=C(C)c1cc([nH]c1)C(=O)NCc1ccccc1

InChI:

InChI=1/C14H14N2O2/c1-10(17)12-7-13(15-9-12)14(18)16-8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2732 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -2.20732	SlogP: 2.4137	Reactive groups: 0

Topological Properties
Globularity: 0.0517866	Sterimol/B1: 2.51285	Sterimol/B2: 3.6162	Sterimol/B3: 3.6186
Sterimol/B4: 5.38593	Sterimol/L: 16.1896

Surface and Volume Properties
Accessible surface: 486.481	Positive charged surface: 266.257	Negative charged surface: 220.224	Volume: 239.375
Hydrophobic surface: 345.836	Hydrophilic surface: 140.645

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.