MMsINC Database Search


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MMsINC code: MMs00198207

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(C(=O)NCc2ccccc2)c1C

InChI:

InChI=1/C26H24N2O2/c1-3-30-21-15-13-20(14-16-21)25-18(2)24(22-11-7-8-12-23(22)28-25)26(29)27-17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.037 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.82069	SlogP: 5.80532	Reactive groups: 0

Topological Properties
Globularity: 0.0647692	Sterimol/B1: 3.7012	Sterimol/B2: 4.21801	Sterimol/B3: 4.63889
Sterimol/B4: 9.78044	Sterimol/L: 19.2874

Surface and Volume Properties
Accessible surface: 708.265	Positive charged surface: 411.195	Negative charged surface: 289.273	Volume: 398.125
Hydrophobic surface: 616.958	Hydrophilic surface: 91.307

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.