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MMsINC code: MMs00461596

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1NC(CC(C)C)C(=O)NC1Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0858 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.47331	SlogP: 1.25837	Reactive groups: 0

Topological Properties
Globularity: 0.114693	Sterimol/B1: 2.25137	Sterimol/B2: 3.00429	Sterimol/B3: 6.06797
Sterimol/B4: 6.21719	Sterimol/L: 14.7235

Surface and Volume Properties
Accessible surface: 492.347	Positive charged surface: 297.307	Negative charged surface: 195.041	Volume: 265.375
Hydrophobic surface: 334.411	Hydrophilic surface: 157.936

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