MMsINC Database Search


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MMsINC code: MMs01930537

Type: Neutral
Formula: C₁₈H₁₅N₃O₅

SMILES:

O=C1N(CC(=O)Nc2ccc(cc2)C(OC)=O)C(=O)Nc2c1cccc2

InChI:

InChI=1/C18H15N3O5/c1-26-17(24)11-6-8-12(9-7-11)19-15(22)10-21-16(23)13-4-2-3-5-14(13)20-18(21)25/h2-9H,10H2,1H3,(H,19,22)(H,20,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2964 kcal/mol

Physical Properties
Molecular Weight: 353.334 g/mol	logS: -4.21007	SlogP: 2.0996	Reactive groups: 0

Topological Properties
Globularity: 0.0662506	Sterimol/B1: 2.53248	Sterimol/B2: 3.85287	Sterimol/B3: 4.63978
Sterimol/B4: 5.74037	Sterimol/L: 19.1504

Surface and Volume Properties
Accessible surface: 593.642	Positive charged surface: 364.734	Negative charged surface: 228.908	Volume: 313.375
Hydrophobic surface: 415.629	Hydrophilic surface: 178.013

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.