MMsINC Database Search


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MMsINC code: MMs03002069

Type: Neutral
Formula: C₁₈H₃₀N₂O

SMILES:

O=C(N(CCCCCC)CCCCCC)c1cccnc1

InChI:

InChI=1/C18H30N2O/c1-3-5-7-9-14-20(15-10-8-6-4-2)18(21)17-12-11-13-19-16-17/h11-13,16H,3-10,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0686 kcal/mol

Physical Properties
Molecular Weight: 290.451 g/mol	logS: -4.31616	SlogP: 4.6844	Reactive groups: 0

Topological Properties
Globularity: 0.0439253	Sterimol/B1: 2.49346	Sterimol/B2: 4.18262	Sterimol/B3: 4.46315
Sterimol/B4: 8.00583	Sterimol/L: 17.843

Surface and Volume Properties
Accessible surface: 617.44	Positive charged surface: 480.118	Negative charged surface: 137.322	Volume: 328.5
Hydrophobic surface: 527.219	Hydrophilic surface: 90.221

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.