MMsINC Database Search


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MMsINC code: MMs00666784

Type: Neutral
Formula: C₂₃H₁₉NO₅

SMILES:

O(C(=O)c1ccc(cc1)COC(=O)c1ccccc1NC(=O)C)c1ccccc1

InChI:

InChI=1/C23H19NO5/c1-16(25)24-21-10-6-5-9-20(21)23(27)28-15-17-11-13-18(14-12-17)22(26)29-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.309 kcal/mol

Physical Properties
Molecular Weight: 389.407 g/mol	logS: -5.85802	SlogP: 4.4876	Reactive groups: 0

Topological Properties
Globularity: 0.0208794	Sterimol/B1: 2.32319	Sterimol/B2: 3.54354	Sterimol/B3: 3.90989
Sterimol/B4: 7.59421	Sterimol/L: 22.2129

Surface and Volume Properties
Accessible surface: 693.876	Positive charged surface: 394.517	Negative charged surface: 299.359	Volume: 370.125
Hydrophobic surface: 589.997	Hydrophilic surface: 103.879

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.