MMsINC Database Search


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MMsINC code: MMs02762120

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O=C(C(C)c1ccccc1)c1cc(ccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H23NO2/c1-17(19-10-5-3-6-11-19)23(26)21-14-9-15-22(16-21)24(27)25-18(2)20-12-7-4-8-13-20/h3-18H,1-2H3,(H,25,27)/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7741 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -5.96217	SlogP: 5.2595	Reactive groups: 0

Topological Properties
Globularity: 0.0580884	Sterimol/B1: 2.12381	Sterimol/B2: 3.65606	Sterimol/B3: 5.3524
Sterimol/B4: 6.07724	Sterimol/L: 19.9004

Surface and Volume Properties
Accessible surface: 656.549	Positive charged surface: 360.63	Negative charged surface: 295.919	Volume: 371.25
Hydrophobic surface: 562.375	Hydrophilic surface: 94.174

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

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.