MMsINC Database Search


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MMsINC code: MMs02314083

Type: Neutral
Formula: C₂₀H₃₄N₂O

SMILES:

Oc1c(cc(cc1CN(C)C)C(C)(C)C)CNC1CCCCC1

InChI:

InChI=1/C20H34N2O/c1-20(2,3)17-11-15(13-21-18-9-7-6-8-10-18)19(23)16(12-17)14-22(4)5/h11-12,18,21,23H,6-10,13-14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3731 kcal/mol

Physical Properties
Molecular Weight: 318.505 g/mol	logS: -4.1256	SlogP: 4.7064	Reactive groups: 0

Topological Properties
Globularity: 0.0704126	Sterimol/B1: 2.46126	Sterimol/B2: 3.22407	Sterimol/B3: 4.04327
Sterimol/B4: 10.1595	Sterimol/L: 15.6013

Surface and Volume Properties
Accessible surface: 626.372	Positive charged surface: 512.491	Negative charged surface: 113.881	Volume: 356.875
Hydrophobic surface: 523.118	Hydrophilic surface: 103.254

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

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Ions/Tautomers related molecules

MMs02314084
NCID-ZINC01679494