MMsINC Database Search


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MMsINC code: MMs00189445

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O1c2cc(ccc2OC1)CNC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C

InChI:

InChI=1/C19H16N2O5/c1-21-13-5-3-2-4-12(13)17(22)16(19(21)24)18(23)20-9-11-6-7-14-15(8-11)26-10-25-14/h2-8,22H,9-10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7696 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -3.68844	SlogP: 2.2436	Reactive groups: 0

Topological Properties
Globularity: 0.0762595	Sterimol/B1: 2.26186	Sterimol/B2: 2.62767	Sterimol/B3: 5.3364
Sterimol/B4: 7.4574	Sterimol/L: 17.1697

Surface and Volume Properties
Accessible surface: 586.208	Positive charged surface: 371.354	Negative charged surface: 214.855	Volume: 315.125
Hydrophobic surface: 422.233	Hydrophilic surface: 163.975

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.