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MMsINC code: MMs01636877

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

o1cccc1C(N1CCCC1)CNC(=O)c1cc(ccc1C)C

InChI:

InChI=1/C19H24N2O2/c1-14-7-8-15(2)16(12-14)19(22)20-13-17(18-6-5-11-23-18)21-9-3-4-10-21/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,20,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8248 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -4.44859	SlogP: 3.55884	Reactive groups: 0

Topological Properties
Globularity: 0.0779895	Sterimol/B1: 2.57391	Sterimol/B2: 3.65928	Sterimol/B3: 5.73663
Sterimol/B4: 7.43486	Sterimol/L: 15.6278

Surface and Volume Properties
Accessible surface: 588.398	Positive charged surface: 384.177	Negative charged surface: 204.221	Volume: 321.5
Hydrophobic surface: 552.313	Hydrophilic surface: 36.085

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

MMs01636878
ENAMINE-ZINC05704790