MMsINC Database Search


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MMsINC code: MMs01503968

Type: Neutral
Formula: C₁₉H₁₇NO₃

SMILES:

o1c(nc(C(OCc2ccc(cc2)C)=O)c1C)-c1ccccc1

InChI:

InChI=1/C19H17NO3/c1-13-8-10-15(11-9-13)12-22-19(21)17-14(2)23-18(20-17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7477 kcal/mol

Physical Properties
Molecular Weight: 307.349 g/mol	logS: -5.97493	SlogP: 4.58184	Reactive groups: 0

Topological Properties
Globularity: 0.04014	Sterimol/B1: 3.53295	Sterimol/B2: 3.61736	Sterimol/B3: 3.6183
Sterimol/B4: 8.14418	Sterimol/L: 17.361

Surface and Volume Properties
Accessible surface: 603.541	Positive charged surface: 349.922	Negative charged surface: 253.619	Volume: 304.25
Hydrophobic surface: 538.314	Hydrophilic surface: 65.227

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.