MMsINC Database Search


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MMsINC code: MMs02091117

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1ccc(cc1)-c1c(C(OCC)=O)c([nH]c1C(=O)C(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C24H24N2O5/c1-5-31-24(29)19-15(3)25-21(20(19)16-8-12-18(30-4)13-9-16)22(27)23(28)26-17-10-6-14(2)7-11-17/h6-13,25H,5H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.839 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -6.25537	SlogP: 4.30524	Reactive groups: 0

Topological Properties
Globularity: 0.0430106	Sterimol/B1: 2.07313	Sterimol/B2: 3.46182	Sterimol/B3: 5.44543
Sterimol/B4: 9.85171	Sterimol/L: 19.6786

Surface and Volume Properties
Accessible surface: 740.563	Positive charged surface: 478.285	Negative charged surface: 262.278	Volume: 401.25
Hydrophobic surface: 593.983	Hydrophilic surface: 146.58

Pharmacophoric Properties
Hydrogen bond donors: 2	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.