MMsINC Database Search


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MMsINC code: MMs01536484

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

Oc1ccc(cc1)-c1ccc(cc1)C(OCC(=O)N(Cc1ccccc1C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.811 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.13944	SlogP: 4.44942	Reactive groups: 0

Topological Properties
Globularity: 0.0434799	Sterimol/B1: 2.17118	Sterimol/B2: 2.78548	Sterimol/B3: 6.27968
Sterimol/B4: 6.62634	Sterimol/L: 21.1969

Surface and Volume Properties
Accessible surface: 693.691	Positive charged surface: 396.677	Negative charged surface: 286.596	Volume: 386.625
Hydrophobic surface: 570.954	Hydrophilic surface: 122.737

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.