MMsINC Database Search


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MMsINC code: MMs01536486

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

Oc1ccc(cc1)-c1ccc(cc1)C(OCC(=O)Nc1ccccc1C(C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.864 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -7.01838	SlogP: 4.9781	Reactive groups: 0

Topological Properties
Globularity: 0.0156103	Sterimol/B1: 2.49674	Sterimol/B2: 3.32813	Sterimol/B3: 4.61239
Sterimol/B4: 6.92809	Sterimol/L: 21.854

Surface and Volume Properties
Accessible surface: 699.4	Positive charged surface: 394.652	Negative charged surface: 294.367	Volume: 380
Hydrophobic surface: 536.567	Hydrophilic surface: 162.833

Pharmacophoric Properties
Hydrogen bond donors: 2	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.