MMsINC Database Search


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MMsINC code: MMs02628475

Type: Neutral
Formula: C₂₁H₁₉NO₄

SMILES:

O(c1ccc(NC(=O)COc2ccccc2OC)cc1)c1ccccc1

InChI:

InChI=1/C21H19NO4/c1-24-19-9-5-6-10-20(19)25-15-21(23)22-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.561 kcal/mol

Physical Properties
Molecular Weight: 349.386 g/mol	logS: -5.26478	SlogP: 4.505	Reactive groups: 0

Topological Properties
Globularity: 0.0259531	Sterimol/B1: 2.35505	Sterimol/B2: 2.91867	Sterimol/B3: 3.81991
Sterimol/B4: 8.21397	Sterimol/L: 19.9158

Surface and Volume Properties
Accessible surface: 641.602	Positive charged surface: 403.766	Negative charged surface: 237.837	Volume: 338.5
Hydrophobic surface: 580.244	Hydrophilic surface: 61.358

Pharmacophoric Properties
Hydrogen bond donors: 1	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.