MMsINC Database Search


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MMsINC code: MMs01374021

Type: Neutral
Formula: C₁₈H₂₂N₂O₂

SMILES:

O(CCNC(=O)CNC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C18H22N2O2/c1-22-13-12-19-17(21)14-20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20H,12-14H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7667 kcal/mol

Physical Properties
Molecular Weight: 298.386 g/mol	logS: -3.20849	SlogP: 2.2237	Reactive groups: 0

Topological Properties
Globularity: 0.109437	Sterimol/B1: 2.63096	Sterimol/B2: 4.65979	Sterimol/B3: 5.12824
Sterimol/B4: 6.67669	Sterimol/L: 16.5741

Surface and Volume Properties
Accessible surface: 598.017	Positive charged surface: 409.851	Negative charged surface: 188.166	Volume: 309.75
Hydrophobic surface: 537.424	Hydrophilic surface: 60.593

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.