MMsINC Database Search


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MMsINC code: MMs02161760

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C18H20N2O2/c1-13(15-9-5-3-6-10-15)19-17(21)18(22)20-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,19,21)(H,20,22)/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4304 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -4.1259	SlogP: 2.9322	Reactive groups: 0

Topological Properties
Globularity: 0.0839554	Sterimol/B1: 2.07444	Sterimol/B2: 2.7679	Sterimol/B3: 5.53621
Sterimol/B4: 5.57568	Sterimol/L: 17.5042

Surface and Volume Properties
Accessible surface: 581.615	Positive charged surface: 327.745	Negative charged surface: 253.87	Volume: 302.875
Hydrophobic surface: 464.62	Hydrophilic surface: 116.995

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.