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MMsINC code: MMs01022616

Type: Neutral
Formula: C₁₉H₂₆N₂O

SMILES:

O=C(NC1CCCC1)CCCc1c2c(n(c1)CC)cccc2

InChI:

InChI=1/C19H26N2O/c1-2-21-14-15(17-11-5-6-12-18(17)21)8-7-13-19(22)20-16-9-3-4-10-16/h5-6,11-12,14,16H,2-4,7-10,13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9315 kcal/mol

Physical Properties
Molecular Weight: 298.43 g/mol	logS: -3.14321	SlogP: 4.30907	Reactive groups: 0

Topological Properties
Globularity: 0.0417115	Sterimol/B1: 2.19097	Sterimol/B2: 3.28219	Sterimol/B3: 3.88639
Sterimol/B4: 7.86674	Sterimol/L: 17.8914

Surface and Volume Properties
Accessible surface: 610.429	Positive charged surface: 432.919	Negative charged surface: 172.986	Volume: 322.5
Hydrophobic surface: 538.727	Hydrophilic surface: 71.702

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.