MMsINC Database Search


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MMsINC code: MMs02233617

Type: Neutral
Formula: C₁₇H₁₈N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)N(NC(OCc1ccccc1)=O)C

InChI:

InChI=1/C17H18N2O4/c1-19(17(21)23-13-15-10-6-3-7-11-15)18-16(20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6097 kcal/mol

Physical Properties
Molecular Weight: 314.341 g/mol	logS: -3.63105	SlogP: 3.6292	Reactive groups: 0

Topological Properties
Globularity: 0.110107	Sterimol/B1: 2.22359	Sterimol/B2: 3.21529	Sterimol/B3: 5.42883
Sterimol/B4: 8.23749	Sterimol/L: 16.45

Surface and Volume Properties
Accessible surface: 605.45	Positive charged surface: 383.443	Negative charged surface: 222.007	Volume: 300.875
Hydrophobic surface: 496.477	Hydrophilic surface: 108.973

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.