MMsINC Database Search


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MMsINC code: MMs00142675

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

OC=1c2c(N(C)C(=O)C=1C(=O)Nc1ccccc1C(OC)=O)cccc2

InChI:

InChI=1/C19H16N2O5/c1-21-14-10-6-4-8-12(14)16(22)15(18(21)24)17(23)20-13-9-5-3-7-11(13)19(25)26-2/h3-10,22H,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.808 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.17103	SlogP: 2.3574	Reactive groups: 0

Topological Properties
Globularity: 0.113427	Sterimol/B1: 2.34624	Sterimol/B2: 3.72663	Sterimol/B3: 6.16757
Sterimol/B4: 6.92646	Sterimol/L: 16.0632

Surface and Volume Properties
Accessible surface: 583.01	Positive charged surface: 374.841	Negative charged surface: 208.169	Volume: 318.375
Hydrophobic surface: 465.418	Hydrophilic surface: 117.592

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.