MMsINC Database Search


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MMsINC code: MMs02366023

Type: Neutral
Formula: C₁₇H₁₆N₂O₃

SMILES:

O=C(C)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)C)cc1

InChI:

InChI=1/C17H16N2O3/c1-11(20)13-3-7-15(8-4-13)18-17(22)19-16-9-5-14(6-10-16)12(2)21/h3-10H,1-2H3,(H2,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1833 kcal/mol

Physical Properties
Molecular Weight: 296.326 g/mol	logS: -3.87659	SlogP: 3.7358	Reactive groups: 0

Topological Properties
Globularity: 0.022872	Sterimol/B1: 2.1605	Sterimol/B2: 2.54551	Sterimol/B3: 3.41189
Sterimol/B4: 6.44087	Sterimol/L: 18.3154

Surface and Volume Properties
Accessible surface: 557.902	Positive charged surface: 315.664	Negative charged surface: 242.239	Volume: 282.625
Hydrophobic surface: 415.26	Hydrophilic surface: 142.642

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.