MMsINC Database Search


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MMsINC code: MMs01067916

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(C)c1cc(n(CC(=O)NC(C)c2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-16(19-10-6-4-7-11-19)24-23(27)15-25-17(2)21(18(3)26)14-22(25)20-12-8-5-9-13-20/h4-14,16H,15H2,1-3H3,(H,24,27)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9338 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.01063	SlogP: 4.90542	Reactive groups: 0

Topological Properties
Globularity: 0.070688	Sterimol/B1: 2.03338	Sterimol/B2: 2.74149	Sterimol/B3: 4.85874
Sterimol/B4: 10.0365	Sterimol/L: 17.5057

Surface and Volume Properties
Accessible surface: 643.449	Positive charged surface: 365.236	Negative charged surface: 278.212	Volume: 368.625
Hydrophobic surface: 561.688	Hydrophilic surface: 81.761

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.