MMsINC Database Search


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MMsINC code: MMs02303154

Type: Neutral
Formula: C₁₈H₂₂N₂O₂

SMILES:

OCCNC(C(=O)c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C18H22N2O2/c1-20(2)16-10-8-15(9-11-16)18(22)17(19-12-13-21)14-6-4-3-5-7-14/h3-11,17,19,21H,12-13H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.196 kcal/mol

Physical Properties
Molecular Weight: 298.386 g/mol	logS: -2.9495	SlogP: 2.354	Reactive groups: 0

Topological Properties
Globularity: 0.11618	Sterimol/B1: 3.14759	Sterimol/B2: 3.80226	Sterimol/B3: 4.47739
Sterimol/B4: 6.71681	Sterimol/L: 16.2283

Surface and Volume Properties
Accessible surface: 572.215	Positive charged surface: 416.623	Negative charged surface: 155.592	Volume: 305.5
Hydrophobic surface: 487.772	Hydrophilic surface: 84.443

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.