MMsINC Database Search


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MMsINC code: MMs01178383

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C(=O)c1ccccc1C(=O)N(Cc1ccccc1)Cc1n(c2c(c1)cccc2)C)C

InChI:

InChI=1/C26H24N2O3/c1-27-21(16-20-12-6-9-15-24(20)27)18-28(17-19-10-4-3-5-11-19)25(29)22-13-7-8-14-23(22)26(30)31-2/h3-16H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.44 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -5.67938	SlogP: 5.6995	Reactive groups: 0

Topological Properties
Globularity: 0.235231	Sterimol/B1: 2.66663	Sterimol/B2: 5.03615	Sterimol/B3: 5.45375
Sterimol/B4: 8.72356	Sterimol/L: 16.2213

Surface and Volume Properties
Accessible surface: 656.866	Positive charged surface: 415.491	Negative charged surface: 239.023	Volume: 409.125
Hydrophobic surface: 606.588	Hydrophilic surface: 50.278

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.