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MMsINC code: MMs03958969

Type: Neutral
Formula: C₂₀H₁₆N₂O₅

SMILES:

O=C\1N(c2cc(cc(c2)C)C)C(=O)NC(=O)/C/1=C\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C20H16N2O5/c1-11-7-12(2)9-15(8-11)22-18(24)16(17(23)21-20(22)27)10-13-3-5-14(6-4-13)19(25)26/h3-10H,1-2H3,(H,25,26)(H,21,23,27)/b16-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2371 kcal/mol

Physical Properties
Molecular Weight: 364.357 g/mol	logS: -5.44621	SlogP: 2.66804	Reactive groups: 0

Topological Properties
Globularity: 0.178211	Sterimol/B1: 2.14367	Sterimol/B2: 4.54676	Sterimol/B3: 6.81937
Sterimol/B4: 7.87154	Sterimol/L: 14.3961

Surface and Volume Properties
Accessible surface: 611.101	Positive charged surface: 347.153	Negative charged surface: 263.948	Volume: 328.5
Hydrophobic surface: 394.229	Hydrophilic surface: 216.872

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03958970
VITASM-ZINC04704494