MMsINC Database Search


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MMsINC code: MMs01179607

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1ncccc1)C(C)C)cccc2

InChI:

InChI=1/C18H18N2O2/c1-13(2)20(12-15-8-5-6-10-19-15)18(21)17-11-14-7-3-4-9-16(14)22-17/h3-11,13H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3698 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -4.34037	SlogP: 4.145	Reactive groups: 0

Topological Properties
Globularity: 0.115785	Sterimol/B1: 2.24223	Sterimol/B2: 2.86257	Sterimol/B3: 4.07045
Sterimol/B4: 8.81861	Sterimol/L: 13.708

Surface and Volume Properties
Accessible surface: 523.409	Positive charged surface: 327.009	Negative charged surface: 190.843	Volume: 292.5
Hydrophobic surface: 451.724	Hydrophilic surface: 71.685

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

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.