MMsINC Database Search


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MMsINC code: MMs00884465

Type: Neutral
Formula: C₂₆H₂₁NO₄

SMILES:

O1c2c(OC1)cc1N(C=C(C(=O)c3ccc(cc3)CC)C(=O)c1c2)Cc1ccccc1

InChI:

InChI=1/C26H21NO4/c1-2-17-8-10-19(11-9-17)25(28)21-15-27(14-18-6-4-3-5-7-18)22-13-24-23(30-16-31-24)12-20(22)26(21)29/h3-13,15H,2,14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.842 kcal/mol

Physical Properties
Molecular Weight: 411.457 g/mol	logS: -6.85959	SlogP: 5.21377	Reactive groups: 1

Topological Properties
Globularity: 0.0628662	Sterimol/B1: 2.3554	Sterimol/B2: 5.09961	Sterimol/B3: 6.27299
Sterimol/B4: 7.11598	Sterimol/L: 17.9207

Surface and Volume Properties
Accessible surface: 675.705	Positive charged surface: 398.855	Negative charged surface: 276.85	Volume: 393.875
Hydrophobic surface: 526.695	Hydrophilic surface: 149.01

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.