MMsINC Database Search


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MMsINC code: MMs02804264

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C26H22N2O2/c29-26(23-8-12-25(13-9-23)30-19-22-4-2-1-3-5-22)28-24-10-6-20(7-11-24)18-21-14-16-27-17-15-21/h1-17H,18-19H2,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.644 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -6.03139	SlogP: 5.77007	Reactive groups: 0

Topological Properties
Globularity: 0.0343169	Sterimol/B1: 3.93175	Sterimol/B2: 4.17281	Sterimol/B3: 4.19066
Sterimol/B4: 5.11523	Sterimol/L: 23.1976

Surface and Volume Properties
Accessible surface: 719.519	Positive charged surface: 438.306	Negative charged surface: 281.213	Volume: 394.75
Hydrophobic surface: 656.826	Hydrophilic surface: 62.693

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.