MMsINC Database Search


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MMsINC code: MMs01544380

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(OCC(=O)Nc1cccc(C)c1C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.437 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.21571	SlogP: 4.94434	Reactive groups: 0

Topological Properties
Globularity: 0.0196775	Sterimol/B1: 3.23185	Sterimol/B2: 3.94307	Sterimol/B3: 4.06893
Sterimol/B4: 6.46389	Sterimol/L: 23.6185

Surface and Volume Properties
Accessible surface: 714.044	Positive charged surface: 414.921	Negative charged surface: 299.122	Volume: 385.875
Hydrophobic surface: 629.583	Hydrophilic surface: 84.461

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.