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MMsINC code: MMs00492177

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

O(C)c1ccc(NC(=O)\C=C\c2ccccc2)cc1

InChI:

InChI=1/C16H15NO2/c1-19-15-10-8-14(9-11-15)17-16(18)12-7-13-5-3-2-4-6-13/h2-12H,1H3,(H,17,18)/b12-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1582 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.91107	SlogP: 3.3471	Reactive groups: 0

Topological Properties
Globularity: 0.0109145	Sterimol/B1: 2.52026	Sterimol/B2: 2.71554	Sterimol/B3: 2.82305
Sterimol/B4: 5.48178	Sterimol/L: 18.3368

Surface and Volume Properties
Accessible surface: 510.464	Positive charged surface: 305.045	Negative charged surface: 205.419	Volume: 257.375
Hydrophobic surface: 453.33	Hydrophilic surface: 57.134

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00492178
CHEMBLOCK-ZINC00061520