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MMsINC code: MMs03667486

Type: Neutral
Formula: C₁₆H₂₂N₂O₂

SMILES:

O(NC1=CC(N(CC1C)C)C)C(=O)c1cc(ccc1)C

InChI:

InChI=1/C16H22N2O2/c1-11-6-5-7-14(8-11)16(19)20-17-15-9-13(3)18(4)10-12(15)2/h5-9,12-13,17H,10H2,1-4H3/t12-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7254 kcal/mol

Physical Properties
Molecular Weight: 274.364 g/mol	logS: -2.96682	SlogP: 2.51032	Reactive groups: 0

Topological Properties
Globularity: 0.0296355	Sterimol/B1: 2.93039	Sterimol/B2: 3.20702	Sterimol/B3: 4.34741
Sterimol/B4: 5.16698	Sterimol/L: 16.7188

Surface and Volume Properties
Accessible surface: 538.34	Positive charged surface: 356.007	Negative charged surface: 182.334	Volume: 283.25
Hydrophobic surface: 436.152	Hydrophilic surface: 102.188

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

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

MMs03667487
PUBCHEM-ZINC06302307