MMsINC Database Search


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MMsINC code: MMs00112966

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccc(cc1)CC(=O)Nc1nccc(c1)C

InChI:

InChI=1/C15H16N2O2/c1-11-7-8-16-14(9-11)17-15(18)10-12-3-5-13(19-2)6-4-12/h3-9H,10H2,1-2H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9785 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -2.99376	SlogP: 2.57979	Reactive groups: 0

Topological Properties
Globularity: 0.0493242	Sterimol/B1: 3.1427	Sterimol/B2: 4.15861	Sterimol/B3: 4.29974
Sterimol/B4: 4.37535	Sterimol/L: 17.334

Surface and Volume Properties
Accessible surface: 512.55	Positive charged surface: 367.582	Negative charged surface: 144.969	Volume: 254.75
Hydrophobic surface: 447.412	Hydrophilic surface: 65.138

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.