MMsINC Database Search


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MMsINC code: MMs00007383

Type: Neutral
Formula: C₁₇H₁₉NO₃

SMILES:

O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)CO

InChI:

InChI=1/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9187 kcal/mol

Physical Properties
Molecular Weight: 285.343 g/mol	logS: -3.23466	SlogP: 2.78277	Reactive groups: 0

Topological Properties
Globularity: 0.079364	Sterimol/B1: 2.55343	Sterimol/B2: 3.4434	Sterimol/B3: 3.55753
Sterimol/B4: 9.01352	Sterimol/L: 14.6265

Surface and Volume Properties
Accessible surface: 569.571	Positive charged surface: 348.764	Negative charged surface: 220.808	Volume: 289
Hydrophobic surface: 474.53	Hydrophilic surface: 95.041

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.