MMsINC Database Search


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MMsINC code: MMs00893398

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(CC)c1ccc(NC(=O)Cn2c(cc(C(=O)C)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C23H24N2O3/c1-4-28-20-12-10-19(11-13-20)24-23(27)15-25-16(2)21(17(3)26)14-22(25)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.377 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.11697	SlogP: 4.96992	Reactive groups: 0

Topological Properties
Globularity: 0.0843913	Sterimol/B1: 2.72245	Sterimol/B2: 4.87616	Sterimol/B3: 5.54482
Sterimol/B4: 7.63832	Sterimol/L: 19.0357

Surface and Volume Properties
Accessible surface: 669.35	Positive charged surface: 401.633	Negative charged surface: 267.717	Volume: 375.75
Hydrophobic surface: 568.378	Hydrophilic surface: 100.972

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.