MMsINC Database Search


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MMsINC code: MMs02102719

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

O1CC(NC(=O)c2c1cccc2)c1ccc(OC)cc1

InChI:

InChI=1/C16H15NO3/c1-19-12-8-6-11(7-9-12)14-10-20-15-5-3-2-4-13(15)16(18)17-14/h2-9,14H,10H2,1H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.581 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -3.54851	SlogP: 2.6542	Reactive groups: 0

Topological Properties
Globularity: 0.368941	Sterimol/B1: 3.18314	Sterimol/B2: 3.72878	Sterimol/B3: 4.33367
Sterimol/B4: 5.34163	Sterimol/L: 11.7507

Surface and Volume Properties
Accessible surface: 432.23	Positive charged surface: 307.273	Negative charged surface: 124.957	Volume: 251.5
Hydrophobic surface: 347.437	Hydrophilic surface: 84.793

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