MMsINC Database Search


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MMsINC code: MMs01432801

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CC(=O)N(C(C)C)CC(=O)N)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C20H24N2O3/c1-15(2)22(13-19(21)23)20(24)14-25-18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6538 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.23775	SlogP: 2.37847	Reactive groups: 0

Topological Properties
Globularity: 0.0844406	Sterimol/B1: 2.12312	Sterimol/B2: 5.20249	Sterimol/B3: 5.25258
Sterimol/B4: 6.34422	Sterimol/L: 13.9922

Surface and Volume Properties
Accessible surface: 603.498	Positive charged surface: 376.971	Negative charged surface: 226.527	Volume: 340.5
Hydrophobic surface: 450.445	Hydrophilic surface: 153.053

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.