MMsINC Database Search


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MMsINC code: MMs01987548

Type: Neutral
Formula: C₁₄H₂₀N₂O

SMILES:

O=C(Nc1ccc(cc1)C)N1CCC(CC1)C

InChI:

InChI=1/C14H20N2O/c1-11-3-5-13(6-4-11)15-14(17)16-9-7-12(2)8-10-16/h3-6,12H,7-10H2,1-2H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.788 kcal/mol

Physical Properties
Molecular Weight: 232.327 g/mol	logS: -3.06549	SlogP: 3.25882	Reactive groups: 0

Topological Properties
Globularity: 0.0372865	Sterimol/B1: 3.11983	Sterimol/B2: 3.5968	Sterimol/B3: 3.60878
Sterimol/B4: 4.12404	Sterimol/L: 15.8741

Surface and Volume Properties
Accessible surface: 479.964	Positive charged surface: 339.041	Negative charged surface: 140.923	Volume: 245.75
Hydrophobic surface: 424.691	Hydrophilic surface: 55.273

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