MMsINC Database Search


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MMsINC code: MMs01322569

Type: Neutral
Formula: C₂₆H₂₃NO₃

SMILES:

O(C(=O)Cc1c2c(ccc1)cccc2)CC(=O)N(CC)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H23NO3/c1-2-27(24-16-8-12-20-10-4-6-15-23(20)24)25(28)18-30-26(29)17-21-13-7-11-19-9-3-5-14-22(19)21/h3-16H,2,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.507 kcal/mol

Physical Properties
Molecular Weight: 397.474 g/mol	logS: -7.80149	SlogP: 5.13177	Reactive groups: 1

Topological Properties
Globularity: 0.0630382	Sterimol/B1: 2.56178	Sterimol/B2: 4.4781	Sterimol/B3: 5.28764
Sterimol/B4: 6.14138	Sterimol/L: 18.5794

Surface and Volume Properties
Accessible surface: 686.102	Positive charged surface: 383.35	Negative charged surface: 286.364	Volume: 393.25
Hydrophobic surface: 609.798	Hydrophilic surface: 76.304

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.