MMsINC Database Search


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MMsINC code: MMs00852426

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)NCCn1c2c(cccc2)cc1

InChI:

InChI=1/C18H18N2O2/c1-22-16-8-6-15(7-9-16)18(21)19-11-13-20-12-10-14-4-2-3-5-17(14)20/h2-10,12H,11,13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6221 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.55964	SlogP: 3.3463	Reactive groups: 0

Topological Properties
Globularity: 0.0620457	Sterimol/B1: 2.16265	Sterimol/B2: 4.66457	Sterimol/B3: 4.71714
Sterimol/B4: 5.69687	Sterimol/L: 18.6321

Surface and Volume Properties
Accessible surface: 566.611	Positive charged surface: 351.877	Negative charged surface: 209.853	Volume: 294.75
Hydrophobic surface: 496.336	Hydrophilic surface: 70.275

Pharmacophoric Properties
Hydrogen bond donors: 1	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.