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MMsINC code: MMs02643646

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

Oc1ccc(cc1)CN1CCN(CC1)c1ccccc1

InChI:

InChI=1/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.941 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -2.76497	SlogP: 2.9808	Reactive groups: 0

Topological Properties
Globularity: 0.0835967	Sterimol/B1: 3.13828	Sterimol/B2: 3.29418	Sterimol/B3: 4.20333
Sterimol/B4: 5.42105	Sterimol/L: 16.4159

Surface and Volume Properties
Accessible surface: 522.32	Positive charged surface: 351.246	Negative charged surface: 171.074	Volume: 275.625
Hydrophobic surface: 450.07	Hydrophilic surface: 72.25

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02643647
PUBCHEM-ZINC00237521