MMsINC Database Search


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MMsINC code: MMs01204869

Type: Neutral
Formula: C₂₄H₂₈N₂O₂

SMILES:

O(C)c1cc(ccc1)Cn1c(C(=O)Nc2cc(ccc2)C)c(C)c(CC)c1C

InChI:

InChI=1/C24H28N2O2/c1-6-22-17(3)23(24(27)25-20-11-7-9-16(2)13-20)26(18(22)4)15-19-10-8-12-21(14-19)28-5/h7-14H,6,15H2,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.947 kcal/mol

Physical Properties
Molecular Weight: 376.5 g/mol	logS: -5.28677	SlogP: 5.55133	Reactive groups: 0

Topological Properties
Globularity: 0.12837	Sterimol/B1: 2.47591	Sterimol/B2: 4.71887	Sterimol/B3: 5.67293
Sterimol/B4: 8.37386	Sterimol/L: 15.8622

Surface and Volume Properties
Accessible surface: 642.483	Positive charged surface: 418.645	Negative charged surface: 223.838	Volume: 389.375
Hydrophobic surface: 573.065	Hydrophilic surface: 69.418

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.