MMsINC Database Search


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MMsINC code: MMs01918955

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(C)c1cc(N(CC2=Cc3c(NC2=O)cc(cc3)C)C(=O)C)ccc1

InChI:

InChI=1/C20H20N2O3/c1-13-7-8-15-10-16(20(24)21-19(15)9-13)12-22(14(2)23)17-5-4-6-18(11-17)25-3/h4-11H,12H2,1-3H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7771 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.64688	SlogP: 3.39222	Reactive groups: 0

Topological Properties
Globularity: 0.0884784	Sterimol/B1: 3.31494	Sterimol/B2: 3.57839	Sterimol/B3: 3.87172
Sterimol/B4: 8.09203	Sterimol/L: 15.5526

Surface and Volume Properties
Accessible surface: 581.501	Positive charged surface: 377.791	Negative charged surface: 203.711	Volume: 326.625
Hydrophobic surface: 482.319	Hydrophilic surface: 99.182

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.