MMsINC Database Search


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MMsINC code: MMs01678209

Type: Neutral
Formula: C₁₆H₁₆N₂O₄

SMILES:

O(C(=O)Nc1ccccc1OC)c1ccccc1NC(=O)C

InChI:

InChI=1/C16H16N2O4/c1-11(19)17-13-8-4-6-10-15(13)22-16(20)18-12-7-3-5-9-14(12)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4339 kcal/mol

Physical Properties
Molecular Weight: 300.314 g/mol	logS: -3.65595	SlogP: 3.2645	Reactive groups: 0

Topological Properties
Globularity: 0.109884	Sterimol/B1: 2.10496	Sterimol/B2: 3.05092	Sterimol/B3: 4.58613
Sterimol/B4: 8.44204	Sterimol/L: 14.4514

Surface and Volume Properties
Accessible surface: 555.674	Positive charged surface: 354.273	Negative charged surface: 201.401	Volume: 280.5
Hydrophobic surface: 463.496	Hydrophilic surface: 92.178

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.