MMsINC Database Search


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MMsINC code: MMs02840703

Type: Neutral
Formula: C₁₇H₂₆N₂O₂+2

SMILES:

O(C)c1cc2c(cc1OC)c[n+](cc2)CCC[N+](C)(C)C

InChI:

InChI=1/C17H26N2O2/c1-19(2,3)10-6-8-18-9-7-14-11-16(20-4)17(21-5)12-15(14)13-18/h7,9,11-13H,6,8,10H2,1-5H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.395 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -1.94428	SlogP: 2.5072	Reactive groups: 0

Topological Properties
Globularity: 0.0599541	Sterimol/B1: 2.36967	Sterimol/B2: 4.35251	Sterimol/B3: 4.85026
Sterimol/B4: 5.96112	Sterimol/L: 17.0371

Surface and Volume Properties
Accessible surface: 574.305	Positive charged surface: 506.119	Negative charged surface: 57.1137	Volume: 308
Hydrophobic surface: 469.127	Hydrophilic surface: 105.178

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
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.