MMsINC Database Search


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MMsINC code: MMs01710816

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

O(CCCNC(=O)CNC(=O)c1cc2c(cc1)cccc2)C

InChI:

InChI=1/C17H20N2O3/c1-22-10-4-9-18-16(20)12-19-17(21)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9483 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -3.92587	SlogP: 1.7223	Reactive groups: 0

Topological Properties
Globularity: 0.00595858	Sterimol/B1: 2.37494	Sterimol/B2: 2.37676	Sterimol/B3: 3.68238
Sterimol/B4: 4.72248	Sterimol/L: 21.7433

Surface and Volume Properties
Accessible surface: 597.425	Positive charged surface: 403.419	Negative charged surface: 182.908	Volume: 297.875
Hydrophobic surface: 489.906	Hydrophilic surface: 107.519

Pharmacophoric Properties
Hydrogen bond donors: 2	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.