MMsINC Database Search


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MMsINC code: MMs01075687

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C)c1cc(NC(=O)c2cc(C)c(cc2)C)ccc1NC(=O)C(C)C

InChI:

InChI=1/C20H24N2O3/c1-12(2)19(23)22-17-9-8-16(11-18(17)25-5)21-20(24)15-7-6-13(3)14(4)10-15/h6-12H,1-5H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.291 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.96608	SlogP: 4.15884	Reactive groups: 0

Topological Properties
Globularity: 0.0199799	Sterimol/B1: 3.02887	Sterimol/B2: 3.48945	Sterimol/B3: 4.90935
Sterimol/B4: 6.06156	Sterimol/L: 19.2623

Surface and Volume Properties
Accessible surface: 641.609	Positive charged surface: 425.561	Negative charged surface: 216.048	Volume: 344.375
Hydrophobic surface: 527.935	Hydrophilic surface: 113.674

Pharmacophoric Properties
Hydrogen bond donors: 2	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.