MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01981935

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1cc(ccc1C)C)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-17-8-9-18(2)22(14-17)26-23(27)16-29-21-12-10-20(11-13-21)24(28)25-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.574 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.98011	SlogP: 4.51734	Reactive groups: 0

Topological Properties
Globularity: 0.0227956	Sterimol/B1: 3.2132	Sterimol/B2: 3.77412	Sterimol/B3: 4.37254
Sterimol/B4: 7.00979	Sterimol/L: 21.1749

Surface and Volume Properties
Accessible surface: 722.41	Positive charged surface: 428.768	Negative charged surface: 293.642	Volume: 386.375
Hydrophobic surface: 633.209	Hydrophilic surface: 89.201

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.