MMsINC Database Search


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MMsINC code: MMs02798705

Type: Neutral
Formula: C₁₈H₁₅N₃O₄

SMILES:

o1cccc1C(=O)Nc1ccc(nc1)NC(=O)c1ccccc1OC

InChI:

InChI=1/C18H15N3O4/c1-24-14-6-3-2-5-13(14)17(22)21-16-9-8-12(11-19-16)20-18(23)15-7-4-10-25-15/h2-11H,1H3,(H,20,23)(H,19,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.934 kcal/mol

Physical Properties
Molecular Weight: 337.335 g/mol	logS: -4.17993	SlogP: 3.1878	Reactive groups: 0

Topological Properties
Globularity: 0.0094001	Sterimol/B1: 2.48715	Sterimol/B2: 2.63075	Sterimol/B3: 2.80649
Sterimol/B4: 7.47005	Sterimol/L: 19.8712

Surface and Volume Properties
Accessible surface: 591.433	Positive charged surface: 370.665	Negative charged surface: 220.769	Volume: 308.25
Hydrophobic surface: 485.048	Hydrophilic surface: 106.385

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.