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MMsINC code: MMs00848969

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.041 kcal/mol

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

Topological Properties
Globularity: 0.0913035	Sterimol/B1: 2.46869	Sterimol/B2: 3.49424	Sterimol/B3: 3.98422
Sterimol/B4: 9.41594	Sterimol/L: 14.1329

Surface and Volume Properties
Accessible surface: 552.237	Positive charged surface: 411.668	Negative charged surface: 140.569	Volume: 306.625
Hydrophobic surface: 527.171	Hydrophilic surface: 25.066

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

MMs00848970
CHEMDIV-ZINC00270358