MMsINC Database Search


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MMsINC code: MMs01457946

Type: Neutral
Formula: C₂₀H₂₂N₂O₃

SMILES:

O(CC)c1ccccc1CN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C20H22N2O3/c1-3-20(16-11-6-5-7-12-16)18(23)22(19(24)21-20)14-15-10-8-9-13-17(15)25-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,24)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3363 kcal/mol

Physical Properties
Molecular Weight: 338.407 g/mol	logS: -4.47686	SlogP: 4.0205	Reactive groups: 0

Topological Properties
Globularity: 0.144025	Sterimol/B1: 2.40017	Sterimol/B2: 4.40344	Sterimol/B3: 6.41755
Sterimol/B4: 6.43172	Sterimol/L: 14.9401

Surface and Volume Properties
Accessible surface: 567.798	Positive charged surface: 360.143	Negative charged surface: 207.655	Volume: 332.5
Hydrophobic surface: 467.144	Hydrophilic surface: 100.654

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.