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MMsINC code: MMs00813907

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

O(CCCCCN1CCCC1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H25NO/c1(4-12-20-13-5-6-14-20)7-15-21-19-11-10-17-8-2-3-9-18(17)16-19/h2-3,8-11,16H,1,4-7,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6922 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -4.36872	SlogP: 4.4847	Reactive groups: 0

Topological Properties
Globularity: 0.0162731	Sterimol/B1: 2.9525	Sterimol/B2: 3.27667	Sterimol/B3: 3.73934
Sterimol/B4: 4.41677	Sterimol/L: 20.5587

Surface and Volume Properties
Accessible surface: 603.038	Positive charged surface: 425.627	Negative charged surface: 166.34	Volume: 310
Hydrophobic surface: 592.171	Hydrophilic surface: 10.867

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: 1

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Ions/Tautomers related molecules

MMs00813908
CHEMBRIDGE-ZINC04951637