MMsINC Database Search


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MMsINC code: MMs00422816

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1cccc1C(=O)NCc1[nH]c2c(cc(cc2)C)c1

InChI:

InChI=1/C15H14N2O2/c1-10-4-5-13-11(7-10)8-12(17-13)9-16-15(18)14-3-2-6-19-14/h2-8,17H,9H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.7835 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.96722	SlogP: 3.26572	Reactive groups: 0

Topological Properties
Globularity: 0.070155	Sterimol/B1: 2.79795	Sterimol/B2: 3.70599	Sterimol/B3: 4.97954
Sterimol/B4: 5.08647	Sterimol/L: 16.9336

Surface and Volume Properties
Accessible surface: 511.097	Positive charged surface: 285.293	Negative charged surface: 220.176	Volume: 247.75
Hydrophobic surface: 418.734	Hydrophilic surface: 92.363

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.