MMsINC Database Search


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MMsINC code: MMs01616079

Type: Neutral
Formula: C₂₀H₂₂N₂O₃

SMILES:

O(C)c1ccccc1CNC(=O)C1CC(=O)N(C1)Cc1ccccc1

InChI:

InChI=1/C20H22N2O3/c1-25-18-10-6-5-9-16(18)12-21-20(24)17-11-19(23)22(14-17)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,21,24)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8386 kcal/mol

Physical Properties
Molecular Weight: 338.407 g/mol	logS: -3.20311	SlogP: 2.8929	Reactive groups: 0

Topological Properties
Globularity: 0.0759652	Sterimol/B1: 2.3534	Sterimol/B2: 4.15315	Sterimol/B3: 4.21451
Sterimol/B4: 7.1992	Sterimol/L: 17.3799

Surface and Volume Properties
Accessible surface: 620.446	Positive charged surface: 418.67	Negative charged surface: 201.776	Volume: 338.125
Hydrophobic surface: 527.776	Hydrophilic surface: 92.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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.