MMsINC Database Search


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MMsINC code: MMs03266852

Type: Neutral
Formula: C₂₄H₃₆N₂O₂

SMILES:

[O-][n+]1ccc(cc1)CCCCCCCCCCCCCCc1cc[n+]([O-])cc1

InChI:

InChI=1/C24H36N2O2/c27-25-19-15-23(16-20-25)13-11-9-7-5-3-1-2-4-6-8-10-12-14-24-17-21-26(28)22-18-24/h15-22H,1-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9575 kcal/mol

Physical Properties
Molecular Weight: 384.564 g/mol	logS: -8.20912	SlogP: 5.41974	Reactive groups: 0

Topological Properties
Globularity: 0.0165914	Sterimol/B1: 2.43176	Sterimol/B2: 3.42595	Sterimol/B3: 3.52979
Sterimol/B4: 4.81593	Sterimol/L: 29.5017

Surface and Volume Properties
Accessible surface: 822.879	Positive charged surface: 531.452	Negative charged surface: 291.427	Volume: 416.25
Hydrophobic surface: 735.733	Hydrophilic surface: 87.146

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.