MMsINC Database Search


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MMsINC code: MMs00267901

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)NC(C)c1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C24H24N2O2/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)16(2)25-24(27)17-9-12-19(28-3)13-10-17/h5-16H,4H2,1-3H3,(H,25,27)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4284 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.0343	SlogP: 5.6759	Reactive groups: 0

Topological Properties
Globularity: 0.057074	Sterimol/B1: 2.48457	Sterimol/B2: 3.52198	Sterimol/B3: 4.49083
Sterimol/B4: 8.37181	Sterimol/L: 19.3055

Surface and Volume Properties
Accessible surface: 668.21	Positive charged surface: 406.293	Negative charged surface: 252.046	Volume: 380.125
Hydrophobic surface: 584.444	Hydrophilic surface: 83.766

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.