MMsINC Database Search


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MMsINC code: MMs01382552

Type: Neutral
Formula: C₂₆H₂₁NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H21NO2/c28-26(27-24-9-5-2-6-10-24)23-13-11-20(12-14-23)19-29-25-17-15-22(16-18-25)21-7-3-1-4-8-21/h1-18H,19H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.069 kcal/mol

Physical Properties
Molecular Weight: 379.459 g/mol	logS: -7.59953	SlogP: 6.4513	Reactive groups: 0

Topological Properties
Globularity: 0.0210406	Sterimol/B1: 3.28662	Sterimol/B2: 3.64238	Sterimol/B3: 3.73932
Sterimol/B4: 3.88944	Sterimol/L: 24.6213

Surface and Volume Properties
Accessible surface: 703.947	Positive charged surface: 360.419	Negative charged surface: 332.457	Volume: 383.125
Hydrophobic surface: 656.845	Hydrophilic surface: 47.102

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.