MMsINC Database Search


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MMsINC code: MMs01957533

Type: Neutral
Formula: C₁₈H₁₅N₃O₅

SMILES:

O=C1N(CC(=O)Nc2ccccc2C(OC)=O)C(=O)Nc2c1cccc2

InChI:

InChI=1/C18H15N3O5/c1-26-17(24)12-7-3-5-9-14(12)19-15(22)10-21-16(23)11-6-2-4-8-13(11)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)=62.0697 kcal/mol

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

Topological Properties
Globularity: 0.0784354	Sterimol/B1: 2.15014	Sterimol/B2: 3.86712	Sterimol/B3: 4.378
Sterimol/B4: 8.34809	Sterimol/L: 17.2003

Surface and Volume Properties
Accessible surface: 592.012	Positive charged surface: 369.793	Negative charged surface: 222.219	Volume: 312.125
Hydrophobic surface: 433.883	Hydrophilic surface: 158.129

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.