MMsINC Database Search


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MMsINC code: MMs02609814

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O=C(N1CCCC1)CCN1CCc2c1cccc2

InChI:

InChI=1/C15H20N2O/c18-15(17-9-3-4-10-17)8-12-16-11-7-13-5-1-2-6-14(13)16/h1-2,5-6H,3-4,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3997 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -1.99704	SlogP: 2.06157	Reactive groups: 0

Topological Properties
Globularity: 0.0759393	Sterimol/B1: 2.62659	Sterimol/B2: 2.97946	Sterimol/B3: 3.88206
Sterimol/B4: 6.90414	Sterimol/L: 14.123

Surface and Volume Properties
Accessible surface: 491.553	Positive charged surface: 361.963	Negative charged surface: 129.59	Volume: 255.375
Hydrophobic surface: 439.646	Hydrophilic surface: 51.907

Pharmacophoric Properties
Hydrogen bond donors: 0	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.