MMsINC Database Search


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MMsINC code: MMs01212932

Type: Neutral
Formula: C₂₈H₂₈N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N(Cc1ccccc1)Cc1n(ccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C28H28N2O2/c1-22-13-15-24(16-14-22)19-29-17-7-11-26(29)21-30(20-23-8-4-3-5-9-23)28(31)25-10-6-12-27(18-25)32-2/h3-18H,19-21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.163 kcal/mol

Physical Properties
Molecular Weight: 424.544 g/mol	logS: -5.74317	SlogP: 6.49522	Reactive groups: 0

Topological Properties
Globularity: 0.259815	Sterimol/B1: 2.31926	Sterimol/B2: 5.92475	Sterimol/B3: 7.8532
Sterimol/B4: 8.40459	Sterimol/L: 16.6254

Surface and Volume Properties
Accessible surface: 716.872	Positive charged surface: 432.901	Negative charged surface: 283.971	Volume: 435.625
Hydrophobic surface: 659.079	Hydrophilic surface: 57.793

Pharmacophoric Properties
Hydrogen bond donors: 0	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.