MMsINC Database Search


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MMsINC code: MMs01155916

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1C)-c1c2c(cncc2)c(cc1)CNC(=O)Cc1ccccc1

InChI:

InChI=1/C26H24N2O2/c1-18-14-20(9-11-25(18)30-2)22-10-8-21(24-17-27-13-12-23(22)24)16-28-26(29)15-19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.586 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.61735	SlogP: 5.34409	Reactive groups: 0

Topological Properties
Globularity: 0.0417185	Sterimol/B1: 2.32833	Sterimol/B2: 2.71465	Sterimol/B3: 4.96325
Sterimol/B4: 7.59135	Sterimol/L: 22.3061

Surface and Volume Properties
Accessible surface: 706.057	Positive charged surface: 476.017	Negative charged surface: 217.935	Volume: 399.625
Hydrophobic surface: 644.327	Hydrophilic surface: 61.73

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.