MMsINC Database Search


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MMsINC code: MMs01737263

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O=C1N(CC(=O)N2C1Cc1c(C2)cccc1)C1CCCC1

InChI:

InChI=1/C17H20N2O2/c20-16-11-18(14-7-3-4-8-14)17(21)15-9-12-5-1-2-6-13(12)10-19(15)16/h1-2,5-6,14-15H,3-4,7-11H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.018 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -2.78023	SlogP: 1.99107	Reactive groups: 0

Topological Properties
Globularity: 0.0715569	Sterimol/B1: 2.96591	Sterimol/B2: 3.05763	Sterimol/B3: 4.01559
Sterimol/B4: 5.44814	Sterimol/L: 15.4775

Surface and Volume Properties
Accessible surface: 499.3	Positive charged surface: 324.081	Negative charged surface: 175.219	Volume: 276.75
Hydrophobic surface: 427.223	Hydrophilic surface: 72.077

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.