MMsINC Database Search


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MMsINC code: MMs00723392

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CCCC)c1ccc(NC(=O)C(=O)NC(C)c2ccccc2)cc1

InChI:

InChI=1/C20H24N2O3/c1-3-4-14-25-18-12-10-17(11-13-18)22-20(24)19(23)21-15(2)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,21,23)(H,22,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9011 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.94923	SlogP: 3.7769	Reactive groups: 0

Topological Properties
Globularity: 0.0191117	Sterimol/B1: 3.29378	Sterimol/B2: 3.4221	Sterimol/B3: 3.86626
Sterimol/B4: 4.93466	Sterimol/L: 22.3908

Surface and Volume Properties
Accessible surface: 665.901	Positive charged surface: 418.766	Negative charged surface: 247.134	Volume: 343.875
Hydrophobic surface: 531.401	Hydrophilic surface: 134.5

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.