MMsINC Database Search


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MMsINC code: MMs02947708

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)c1ccc(OC(=O)CC)cc1

InChI:

InChI=1/C18H19NO5/c1-4-17(20)24-13-7-5-12(6-8-13)18(21)19-15-11-14(22-2)9-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.526 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -4.01092	SlogP: 3.2715	Reactive groups: 0

Topological Properties
Globularity: 0.0216189	Sterimol/B1: 2.10759	Sterimol/B2: 4.31279	Sterimol/B3: 5.25848
Sterimol/B4: 5.8142	Sterimol/L: 19.1546

Surface and Volume Properties
Accessible surface: 615.796	Positive charged surface: 423.272	Negative charged surface: 192.524	Volume: 311.25
Hydrophobic surface: 508.922	Hydrophilic surface: 106.874

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.