MMsINC Database Search


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MMsINC code: MMs01788014

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O1c2c(cc(O)c(c2)C)C(=CC1=O)CNc1ccccc1C(OC)=O

InChI:

InChI=1/C19H17NO5/c1-11-7-17-14(9-16(11)21)12(8-18(22)25-17)10-20-15-6-4-3-5-13(15)19(23)24-2/h3-9,20-21H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3678 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -4.55164	SlogP: 2.90172	Reactive groups: 0

Topological Properties
Globularity: 0.232518	Sterimol/B1: 2.66644	Sterimol/B2: 5.26176	Sterimol/B3: 5.83402
Sterimol/B4: 8.1968	Sterimol/L: 14.7856

Surface and Volume Properties
Accessible surface: 589.575	Positive charged surface: 370.324	Negative charged surface: 219.251	Volume: 312.5
Hydrophobic surface: 442.87	Hydrophilic surface: 146.705

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.