MMsINC Database Search


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MMsINC code: MMs02693079

Type: Neutral
Formula: C₁₇H₁₉NO₄

SMILES:

O(C)c1c(cccc1OC)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C17H19NO4/c1-20-14-9-5-4-7-12(14)11-18-17(19)13-8-6-10-15(21-2)16(13)22-3/h4-10H,11H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3578 kcal/mol

Physical Properties
Molecular Weight: 301.342 g/mol	logS: -3.45005	SlogP: 2.9088	Reactive groups: 0

Topological Properties
Globularity: 0.121842	Sterimol/B1: 2.2189	Sterimol/B2: 4.33888	Sterimol/B3: 5.41412
Sterimol/B4: 7.11123	Sterimol/L: 16.7279

Surface and Volume Properties
Accessible surface: 570.849	Positive charged surface: 422.849	Negative charged surface: 148	Volume: 295.125
Hydrophobic surface: 522.135	Hydrophilic surface: 48.714

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.