MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01171997

Type: Neutral
Formula: C₁₄H₂₄N₂O

SMILES:

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

InChI:

InChI=1/C14H24N2O/c1-4-6-11-16(14(17)8-5-2)12-13-9-7-10-15(13)3/h7,9-10H,4-6,8,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.4239 kcal/mol

Physical Properties
Molecular Weight: 236.359 g/mol	logS: -1.68372	SlogP: 3.5795	Reactive groups: 0

Topological Properties
Globularity: 0.12836	Sterimol/B1: 2.27924	Sterimol/B2: 3.49643	Sterimol/B3: 3.57691
Sterimol/B4: 9.43521	Sterimol/L: 12.3235

Surface and Volume Properties
Accessible surface: 507.381	Positive charged surface: 367.668	Negative charged surface: 139.713	Volume: 265
Hydrophobic surface: 410.509	Hydrophilic surface: 96.872

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.