MMsINC Database Search


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MMsINC code: MMs00709570

Type: Neutral
Formula: C₂₃H₃₄N₂O₂

SMILES:

O=C(N(C1CCCCC1)C1CCCCC1)c1ccccc1NC(=O)CCC

InChI:

InChI=1/C23H34N2O2/c1-2-11-22(26)24-21-17-10-9-16-20(21)23(27)25(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h9-10,16-19H,2-8,11-15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=330.175 kcal/mol

Physical Properties
Molecular Weight: 370.537 g/mol	logS: -5.29374	SlogP: 5.5328	Reactive groups: 0

Topological Properties
Globularity: 0.105096	Sterimol/B1: 3.702	Sterimol/B2: 3.99632	Sterimol/B3: 5.88347
Sterimol/B4: 7.63754	Sterimol/L: 16.3883

Surface and Volume Properties
Accessible surface: 637.446	Positive charged surface: 469.068	Negative charged surface: 168.378	Volume: 379.5
Hydrophobic surface: 574.502	Hydrophilic surface: 62.944

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.