MMsINC Database Search


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MMsINC code: MMs01647493

Type: Neutral
Formula: C₂₆H₂₁NO₂

SMILES:

O(c1cc(ccc1)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H21NO2/c28-26(22-15-10-18-24(19-22)29-23-16-8-3-9-17-23)27-25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-19,25H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.702 kcal/mol

Physical Properties
Molecular Weight: 379.459 g/mol	logS: -6.84952	SlogP: 6.0938	Reactive groups: 0

Topological Properties
Globularity: 0.0888245	Sterimol/B1: 3.25875	Sterimol/B2: 3.80753	Sterimol/B3: 4.61491
Sterimol/B4: 8.28569	Sterimol/L: 18.1283

Surface and Volume Properties
Accessible surface: 682.259	Positive charged surface: 356.746	Negative charged surface: 325.513	Volume: 385
Hydrophobic surface: 653.88	Hydrophilic surface: 28.379

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.