MMsINC Database Search


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MMsINC code: MMs01148603

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

o1cc(cc1)C(=O)N(Cc1ccccc1)CC(=O)NC(C)C

InChI:

InChI=1/C17H20N2O3/c1-13(2)18-16(20)11-19(10-14-6-4-3-5-7-14)17(21)15-8-9-22-12-15/h3-9,12-13H,10-11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6007 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -3.61856	SlogP: 2.713	Reactive groups: 0

Topological Properties
Globularity: 0.0876032	Sterimol/B1: 3.19828	Sterimol/B2: 3.79624	Sterimol/B3: 4.6824
Sterimol/B4: 6.34045	Sterimol/L: 14.5898

Surface and Volume Properties
Accessible surface: 544.324	Positive charged surface: 310.547	Negative charged surface: 233.778	Volume: 296.75
Hydrophobic surface: 426.65	Hydrophilic surface: 117.674

Pharmacophoric Properties
Hydrogen bond donors: 1	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.