MMsINC Database Search


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MMsINC code: MMs02159982

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(CCCCCC)C(=O)NC1c1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-2-3-4-8-11-17-14(18)13(16-15(17)19)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,16,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.7641 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.87703	SlogP: 2.9553	Reactive groups: 0

Topological Properties
Globularity: 0.0529139	Sterimol/B1: 3.17538	Sterimol/B2: 3.21642	Sterimol/B3: 3.52644
Sterimol/B4: 4.8193	Sterimol/L: 17.856

Surface and Volume Properties
Accessible surface: 523.314	Positive charged surface: 347.295	Negative charged surface: 176.019	Volume: 266.625
Hydrophobic surface: 403.24	Hydrophilic surface: 120.074

Pharmacophoric Properties
Hydrogen bond donors: 1	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.