MMsINC Database Search


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MMsINC code: MMs01428863

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(Cc1cc(ccc1OC)C(=O)C)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C24H23NO4/c1-17(26)19-12-13-22(28-2)20(14-19)16-29-23-11-7-6-10-21(23)24(27)25-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.685 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.47984	SlogP: 4.9396	Reactive groups: 0

Topological Properties
Globularity: 0.0281175	Sterimol/B1: 2.36283	Sterimol/B2: 3.60586	Sterimol/B3: 3.63057
Sterimol/B4: 11.7366	Sterimol/L: 18.9911

Surface and Volume Properties
Accessible surface: 699.06	Positive charged surface: 439.722	Negative charged surface: 259.338	Volume: 383.375
Hydrophobic surface: 625.25	Hydrophilic surface: 73.81

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.