MMsINC Database Search


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MMsINC code: MMs00305337

Type: Neutral
Formula: C₁₆H₁₈N₂O₄

SMILES:

o1cccc1CNC(=O)C(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C16H18N2O4/c1-21-13-6-4-12(5-7-13)8-9-17-15(19)16(20)18-11-14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1989 kcal/mol

Physical Properties
Molecular Weight: 302.33 g/mol	logS: -3.3349	SlogP: 1.52967	Reactive groups: 0

Topological Properties
Globularity: 0.0372651	Sterimol/B1: 2.35829	Sterimol/B2: 3.38248	Sterimol/B3: 3.91856
Sterimol/B4: 5.49918	Sterimol/L: 20.1269

Surface and Volume Properties
Accessible surface: 597.972	Positive charged surface: 375.116	Negative charged surface: 222.856	Volume: 290.75
Hydrophobic surface: 457.783	Hydrophilic surface: 140.189

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.