MMsINC Database Search


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MMsINC code: MMs00753362

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(OCCCCNCCN)cc1

InChI:

InChI=1/C19H26N2O2/c20-12-14-21-13-4-5-15-22-18-8-10-19(11-9-18)23-16-17-6-2-1-3-7-17/h1-3,6-11,21H,4-5,12-16,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.92 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.11538	SlogP: 3.2393	Reactive groups: 0

Topological Properties
Globularity: 0.0192668	Sterimol/B1: 2.61937	Sterimol/B2: 3.6156	Sterimol/B3: 3.62909
Sterimol/B4: 6.02944	Sterimol/L: 23.9686

Surface and Volume Properties
Accessible surface: 671.012	Positive charged surface: 473.408	Negative charged surface: 197.604	Volume: 333.75
Hydrophobic surface: 569.002	Hydrophilic surface: 102.01

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00753363
CHEMBRIDGE-ZINC03461591