MMsINC Database Search


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MMsINC code: MMs00750170

Type: Neutral
Formula: C₂₀H₂₇NO₂

SMILES:

O(Cc1ccccc1)c1ccc(OCCCNCCCC)cc1

InChI:

InChI=1/C20H27NO2/c1-2-3-14-21-15-7-16-22-19-10-12-20(13-11-19)23-17-18-8-5-4-6-9-18/h4-6,8-13,21H,2-3,7,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1617 kcal/mol

Physical Properties
Molecular Weight: 313.441 g/mol	logS: -4.26645	SlogP: 4.6906	Reactive groups: 0

Topological Properties
Globularity: 0.0186962	Sterimol/B1: 2.64497	Sterimol/B2: 3.58289	Sterimol/B3: 3.66252
Sterimol/B4: 5.84385	Sterimol/L: 24.2407

Surface and Volume Properties
Accessible surface: 678.886	Positive charged surface: 469.482	Negative charged surface: 209.404	Volume: 341.5
Hydrophobic surface: 621.544	Hydrophilic surface: 57.342

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules

MMs00750171
CHEMBRIDGE-ZINC03001743