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MMsINC code: MMs00848971

Type: Neutral
Formula: C₁₈H₂₆N₂O

SMILES:

O=C(NC1CCCCC1)C(N1CCCC1)c1ccccc1

InChI:

InChI=1/C18H26N2O/c21-18(19-16-11-5-2-6-12-16)17(20-13-7-8-14-20)15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9818 kcal/mol

Physical Properties
Molecular Weight: 286.419 g/mol	logS: -3.45242	SlogP: 3.3679	Reactive groups: 0

Topological Properties
Globularity: 0.114622	Sterimol/B1: 2.53675	Sterimol/B2: 3.56706	Sterimol/B3: 3.83304
Sterimol/B4: 9.4491	Sterimol/L: 14.6287

Surface and Volume Properties
Accessible surface: 558.076	Positive charged surface: 418.712	Negative charged surface: 139.363	Volume: 306.375
Hydrophobic surface: 533.949	Hydrophilic surface: 24.127

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00848972
CHEMDIV-ZINC00270359