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MMsINC code: MMs02641035

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1Nc2c(cccc2)C(C1)C(=O)NCCC(C)C

InChI:

InChI=1/C15H20N2O2/c1-10(2)7-8-16-15(19)12-9-14(18)17-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9H2,1-2H3,(H,16,19)(H,17,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2497 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.25931	SlogP: 2.2747	Reactive groups: 0

Topological Properties
Globularity: 0.096103	Sterimol/B1: 2.14626	Sterimol/B2: 4.55708	Sterimol/B3: 4.78103
Sterimol/B4: 5.43301	Sterimol/L: 15.7456

Surface and Volume Properties
Accessible surface: 513.616	Positive charged surface: 332.765	Negative charged surface: 180.851	Volume: 262.75
Hydrophobic surface: 370.546	Hydrophilic surface: 143.07

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.