MMsINC Database Search


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MMsINC code: MMs00278315

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(CCCC)c1cc(ccc1)C(=O)Nc1nccc(c1)C

InChI:

InChI=1/C17H20N2O2/c1-3-4-10-21-15-7-5-6-14(12-15)17(20)19-16-11-13(2)8-9-18-16/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5386 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.97649	SlogP: 3.82122	Reactive groups: 0

Topological Properties
Globularity: 0.00716048	Sterimol/B1: 2.441	Sterimol/B2: 2.62073	Sterimol/B3: 3.8691
Sterimol/B4: 5.85585	Sterimol/L: 20.5077

Surface and Volume Properties
Accessible surface: 581.398	Positive charged surface: 394.803	Negative charged surface: 186.594	Volume: 291.875
Hydrophobic surface: 496.473	Hydrophilic surface: 84.925

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.