MMsINC Database Search


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MMsINC code: MMs01125140

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

o1cc(cc1)C(=O)N(Cc1ccccc1)CCC(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C23H24N2O3/c1-17-8-9-21(14-18(17)2)24-22(26)10-12-25(15-19-6-4-3-5-7-19)23(27)20-11-13-28-16-20/h3-9,11,13-14,16H,10,12,15H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.19 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.61776	SlogP: 4.83404	Reactive groups: 0

Topological Properties
Globularity: 0.0552169	Sterimol/B1: 2.58739	Sterimol/B2: 3.91348	Sterimol/B3: 4.6661
Sterimol/B4: 7.863	Sterimol/L: 18.2646

Surface and Volume Properties
Accessible surface: 671.993	Positive charged surface: 369.294	Negative charged surface: 302.699	Volume: 377.125
Hydrophobic surface: 588.303	Hydrophilic surface: 83.69

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.