MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02343880

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2005 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -4.01666	SlogP: 2.5728	Reactive groups: 0

Topological Properties
Globularity: 0.045741	Sterimol/B1: 1.969	Sterimol/B2: 3.9969	Sterimol/B3: 3.99878
Sterimol/B4: 7.56299	Sterimol/L: 17.5711

Surface and Volume Properties
Accessible surface: 596.759	Positive charged surface: 389.881	Negative charged surface: 206.878	Volume: 312
Hydrophobic surface: 470.488	Hydrophilic surface: 126.271

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.