MMsINC Database Search


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MMsINC code: MMs02377143

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O1CCN(CC1)c1c2CCCCc2nc2c1cccc2

InChI:

InChI=1/C17H20N2O/c1-3-7-15-13(5-1)17(19-9-11-20-12-10-19)14-6-2-4-8-16(14)18-15/h1,3,5,7H,2,4,6,8-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.722 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -3.28112	SlogP: 2.95014	Reactive groups: 0

Topological Properties
Globularity: 0.137496	Sterimol/B1: 3.54672	Sterimol/B2: 3.54788	Sterimol/B3: 3.60738
Sterimol/B4: 7.61188	Sterimol/L: 11.8739

Surface and Volume Properties
Accessible surface: 486.408	Positive charged surface: 366.98	Negative charged surface: 116.383	Volume: 271.25
Hydrophobic surface: 445.426	Hydrophilic surface: 40.982

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.