MMsINC Database Search


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MMsINC code: MMs01503679

Type: Neutral
Formula: C₂₄H₁₉NO₅

SMILES:

O(CC)c1ccc(cc1C(Oc1ccccc1)=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C24H19NO5/c1-2-29-21-13-12-16(14-20(21)24(28)30-17-8-4-3-5-9-17)15-25-22(26)18-10-6-7-11-19(18)23(25)27/h3-14H,2,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9986 kcal/mol

Physical Properties
Molecular Weight: 401.418 g/mol	logS: -6.19428	SlogP: 4.3671	Reactive groups: 0

Topological Properties
Globularity: 0.116075	Sterimol/B1: 2.36127	Sterimol/B2: 2.52786	Sterimol/B3: 6.1481
Sterimol/B4: 10.4083	Sterimol/L: 16.916

Surface and Volume Properties
Accessible surface: 686.973	Positive charged surface: 409.701	Negative charged surface: 277.271	Volume: 374.75
Hydrophobic surface: 562.282	Hydrophilic surface: 124.691

Pharmacophoric Properties
Hydrogen bond donors: 0	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.