MMsINC Database Search


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MMsINC code: MMs00847923

Type: Neutral
Formula: C₁₉H₁₅NO₅

SMILES:

O1c2cc(OC(=O)C)ccc2C=C(NC(=O)c2cc(ccc2)C)C1=O

InChI:

InChI=1/C19H15NO5/c1-11-4-3-5-14(8-11)18(22)20-16-9-13-6-7-15(24-12(2)21)10-17(13)25-19(16)23/h3-10H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.693 kcal/mol

Physical Properties
Molecular Weight: 337.331 g/mol	logS: -5.60446	SlogP: 2.61022	Reactive groups: 0

Topological Properties
Globularity: 0.0238176	Sterimol/B1: 2.49849	Sterimol/B2: 2.56965	Sterimol/B3: 4.21275
Sterimol/B4: 5.5298	Sterimol/L: 20.069

Surface and Volume Properties
Accessible surface: 596.517	Positive charged surface: 319.581	Negative charged surface: 276.936	Volume: 309
Hydrophobic surface: 460.312	Hydrophilic surface: 136.205

Pharmacophoric Properties
Hydrogen bond donors: 1	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.