MMsINC Database Search


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MMsINC code: MMs00533654

Type: Neutral
Formula: C₁₇H₁₉NO₄

SMILES:

O(CCNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1

InChI:

InChI=1/C17H19NO4/c1-20-15-10-13(11-16(12-15)21-2)17(19)18-8-9-22-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0735 kcal/mol

Physical Properties
Molecular Weight: 301.342 g/mol	logS: -3.47649	SlogP: 2.5126	Reactive groups: 0

Topological Properties
Globularity: 0.0382387	Sterimol/B1: 3.26871	Sterimol/B2: 3.59827	Sterimol/B3: 4.61523
Sterimol/B4: 6.02567	Sterimol/L: 17.8512

Surface and Volume Properties
Accessible surface: 581.746	Positive charged surface: 407.815	Negative charged surface: 173.931	Volume: 294.75
Hydrophobic surface: 515.395	Hydrophilic surface: 66.351

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.