MMsINC Database Search


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MMsINC code: MMs00715358

Type: Neutral
Formula: C₂₆H₂₁NO₄

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1C(OC)=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C26H21NO4/c1-30-26(29)23-8-4-5-9-24(23)27-25(28)20-12-10-18(11-13-20)17-31-22-15-14-19-6-2-3-7-21(19)16-22/h2-16H,17H2,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.078 kcal/mol

Physical Properties
Molecular Weight: 411.457 g/mol	logS: -7.43276	SlogP: 5.7241	Reactive groups: 0

Topological Properties
Globularity: 0.0342034	Sterimol/B1: 2.16286	Sterimol/B2: 3.33153	Sterimol/B3: 4.36526
Sterimol/B4: 8.94391	Sterimol/L: 22.4681

Surface and Volume Properties
Accessible surface: 729.058	Positive charged surface: 427.236	Negative charged surface: 291.007	Volume: 395.5
Hydrophobic surface: 659.434	Hydrophilic surface: 69.624

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.