MMsINC Database Search


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MMsINC code: MMs01386411

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O1CCN(CC1)C(=O)C(Nc1ccccc1CO)C

InChI:

InChI=1/C14H20N2O3/c1-11(14(18)16-6-8-19-9-7-16)15-13-5-3-2-4-12(13)10-17/h2-5,11,15,17H,6-10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.998 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.63763	SlogP: 1.1045	Reactive groups: 0

Topological Properties
Globularity: 0.114328	Sterimol/B1: 2.15338	Sterimol/B2: 4.29884	Sterimol/B3: 5.15447
Sterimol/B4: 5.76886	Sterimol/L: 13.6619

Surface and Volume Properties
Accessible surface: 500.496	Positive charged surface: 365.263	Negative charged surface: 135.233	Volume: 260.875
Hydrophobic surface: 380.485	Hydrophilic surface: 120.011

Pharmacophoric Properties
Hydrogen bond donors: 2	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.