MMsINC Database Search


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MMsINC code: MMs00758134

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1N(CCC(=O)N2CCCCC2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C20H20N2O3/c23-17(21-11-2-1-3-12-21)10-13-22-19(24)15-8-4-6-14-7-5-9-16(18(14)15)20(22)25/h4-9H,1-3,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0579 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.51526	SlogP: 2.8384	Reactive groups: 0

Topological Properties
Globularity: 0.0754016	Sterimol/B1: 2.4787	Sterimol/B2: 3.87087	Sterimol/B3: 4.18854
Sterimol/B4: 7.38102	Sterimol/L: 16.6738

Surface and Volume Properties
Accessible surface: 574.369	Positive charged surface: 367.998	Negative charged surface: 195.3	Volume: 320.5
Hydrophobic surface: 484.196	Hydrophilic surface: 90.173

Pharmacophoric Properties
Hydrogen bond donors: 0	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.