MMsINC Database Search


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MMsINC code: MMs02879054

Type: Neutral
Formula: C₁₆H₂₆N₂O

SMILES:

O=C(Nc1ccccc1C)N(CCCC)CCCC

InChI:

InChI=1/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.229 kcal/mol

Physical Properties
Molecular Weight: 262.397 g/mol	logS: -3.57107	SlogP: 4.42912	Reactive groups: 0

Topological Properties
Globularity: 0.140757	Sterimol/B1: 2.43768	Sterimol/B2: 3.15792	Sterimol/B3: 4.96112
Sterimol/B4: 9.9639	Sterimol/L: 14.6574

Surface and Volume Properties
Accessible surface: 562.159	Positive charged surface: 396.017	Negative charged surface: 166.142	Volume: 292.75
Hydrophobic surface: 498.78	Hydrophilic surface: 63.379

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.