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MMsINC code: MMs03119581

Type: Neutral
Formula: C₁₅H₂₆N₂O

SMILES:

O=C(N(Cc1n(ccc1)C)CCCC)CCCC

InChI:

InChI=1/C15H26N2O/c1-4-6-10-15(18)17(12-7-5-2)13-14-9-8-11-16(14)3/h8-9,11H,4-7,10,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.0142 kcal/mol

Physical Properties
Molecular Weight: 250.386 g/mol	logS: -2.19894	SlogP: 3.9696	Reactive groups: 0

Topological Properties
Globularity: 0.115585	Sterimol/B1: 2.40438	Sterimol/B2: 3.16395	Sterimol/B3: 3.77303
Sterimol/B4: 10.0934	Sterimol/L: 13.9387

Surface and Volume Properties
Accessible surface: 538.653	Positive charged surface: 403.177	Negative charged surface: 135.476	Volume: 283.375
Hydrophobic surface: 446.441	Hydrophilic surface: 92.212

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.