MMsINC Database Search


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MMsINC code: MMs01765207

Type: Neutral
Formula: C₂₃H₂₆N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC1=Cc2c(NC1=O)cc(cc2)C)C(C)(C)C

InChI:

InChI=1/C23H26N2O3/c1-15-9-10-16-12-18(21(26)24-20(16)11-15)14-25(23(2,3)4)22(27)17-7-6-8-19(13-17)28-5/h6-13H,14H2,1-5H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=297.412 kcal/mol

Physical Properties
Molecular Weight: 378.472 g/mol	logS: -5.56519	SlogP: 4.28002	Reactive groups: 0

Topological Properties
Globularity: 0.15552	Sterimol/B1: 3.44796	Sterimol/B2: 3.6439	Sterimol/B3: 5.42645
Sterimol/B4: 8.47796	Sterimol/L: 15.9404

Surface and Volume Properties
Accessible surface: 621.625	Positive charged surface: 400.408	Negative charged surface: 221.217	Volume: 368.625
Hydrophobic surface: 485.849	Hydrophilic surface: 135.776

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.