MMsINC Database Search


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MMsINC code: MMs02612874

Type: Neutral
Formula: C₂₀H₁₅N₃O₅

SMILES:

O1c2c(ccc(Oc3nc(OC)cc(OC)n3)c2)C(=CC1=O)c1ncccc1

InChI:

InChI=1/C20H15N3O5/c1-25-17-11-18(26-2)23-20(22-17)27-12-6-7-13-14(15-5-3-4-8-21-15)10-19(24)28-16(13)9-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9996 kcal/mol

Physical Properties
Molecular Weight: 377.356 g/mol	logS: -5.45386	SlogP: 2.84909	Reactive groups: 0

Topological Properties
Globularity: 0.0899628	Sterimol/B1: 2.26063	Sterimol/B2: 2.33229	Sterimol/B3: 5.90608
Sterimol/B4: 8.05072	Sterimol/L: 18.3043

Surface and Volume Properties
Accessible surface: 619.393	Positive charged surface: 410.273	Negative charged surface: 209.12	Volume: 336
Hydrophobic surface: 481.849	Hydrophilic surface: 137.544

Pharmacophoric Properties
Hydrogen bond donors: 0	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.