MMsINC Database Search


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MMsINC code: MMs01638295

Type: Neutral
Formula: C₁₉H₁₅NO₄

SMILES:

Oc1ccccc1C(OCC(=O)Nc1c2c(ccc1)cccc2)=O

InChI:

InChI=1/C19H15NO4/c21-17-11-4-3-9-15(17)19(23)24-12-18(22)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-11,21H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.821 kcal/mol

Physical Properties
Molecular Weight: 321.332 g/mol	logS: -5.27897	SlogP: 3.3409	Reactive groups: 0

Topological Properties
Globularity: 0.0136263	Sterimol/B1: 2.13945	Sterimol/B2: 3.41049	Sterimol/B3: 3.45235
Sterimol/B4: 6.14475	Sterimol/L: 18.3145

Surface and Volume Properties
Accessible surface: 572.238	Positive charged surface: 317.767	Negative charged surface: 244.114	Volume: 301.5
Hydrophobic surface: 461.729	Hydrophilic surface: 110.509

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.