MMsINC Database Search


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MMsINC code: MMs02752533

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cc(cc(c1)C)C

InChI:

InChI=1/C26H24N2O2/c1-4-30-21-11-9-19(10-12-21)25-16-23(22-7-5-6-8-24(22)28-25)26(29)27-20-14-17(2)13-18(3)15-20/h5-16H,4H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.712 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.66402	SlogP: 6.16964	Reactive groups: 0

Topological Properties
Globularity: 0.028401	Sterimol/B1: 3.31628	Sterimol/B2: 3.47032	Sterimol/B3: 4.23265
Sterimol/B4: 11.4889	Sterimol/L: 18.7884

Surface and Volume Properties
Accessible surface: 722.207	Positive charged surface: 425.266	Negative charged surface: 285.322	Volume: 399.5
Hydrophobic surface: 643.693	Hydrophilic surface: 78.514

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.