MMsINC Database Search


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MMsINC code: MMs02751665

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cc(cc2C)C)c(c1)C(=O)Nc1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.349 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.49728	SlogP: 6.08796	Reactive groups: 0

Topological Properties
Globularity: 0.0182111	Sterimol/B1: 2.76987	Sterimol/B2: 3.12101	Sterimol/B3: 4.3413
Sterimol/B4: 10.5947	Sterimol/L: 17.7022

Surface and Volume Properties
Accessible surface: 704.443	Positive charged surface: 430.54	Negative charged surface: 264.311	Volume: 400
Hydrophobic surface: 649.468	Hydrophilic surface: 54.975

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.