MMsINC Database Search


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MMsINC code: MMs02663910

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(C(C(=O)Nc1nccc(c1)C)C)c1ccc(cc1C)C

InChI:

InChI=1/C17H20N2O2/c1-11-5-6-15(13(3)9-11)21-14(4)17(20)19-16-10-12(2)7-8-18-16/h5-10,14H,1-4H3,(H,18,19,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2071 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.92033	SlogP: 3.41286	Reactive groups: 0

Topological Properties
Globularity: 0.0331982	Sterimol/B1: 2.15757	Sterimol/B2: 2.99457	Sterimol/B3: 4.7448
Sterimol/B4: 5.65592	Sterimol/L: 17.9553

Surface and Volume Properties
Accessible surface: 568.382	Positive charged surface: 368.166	Negative charged surface: 200.216	Volume: 291.375
Hydrophobic surface: 495.19	Hydrophilic surface: 73.192

Pharmacophoric Properties
Hydrogen bond donors: 1	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.