MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01264488

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)C(=O)NC(C)(C)C

InChI:

InChI=1/C19H23NO3/c1-19(2,3)20-18(21)15-10-11-16(17(12-15)22-4)23-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7952 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -4.3813	SlogP: 4.0689	Reactive groups: 0

Topological Properties
Globularity: 0.0481806	Sterimol/B1: 2.37482	Sterimol/B2: 4.17085	Sterimol/B3: 4.87441
Sterimol/B4: 6.18903	Sterimol/L: 18.3189

Surface and Volume Properties
Accessible surface: 613.106	Positive charged surface: 401.302	Negative charged surface: 211.805	Volume: 320.375
Hydrophobic surface: 519.206	Hydrophilic surface: 93.9

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.