MMsINC Database Search


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MMsINC code: MMs02255239

Type: Neutral
Formula: C₁₅H₂₅N₃

SMILES:

n1ccccc1N(C(C)C)CCN1CCCCC1

InChI:

InChI=1/C15H25N3/c1-14(2)18(15-8-4-5-9-16-15)13-12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9918 kcal/mol

Physical Properties
Molecular Weight: 247.386 g/mol	logS: -1.67187	SlogP: 2.7823	Reactive groups: 0

Topological Properties
Globularity: 0.101281	Sterimol/B1: 2.34409	Sterimol/B2: 3.04377	Sterimol/B3: 4.7992
Sterimol/B4: 7.45534	Sterimol/L: 14.5697

Surface and Volume Properties
Accessible surface: 511.087	Positive charged surface: 393.423	Negative charged surface: 117.664	Volume: 274.875
Hydrophobic surface: 459.915	Hydrophilic surface: 51.172

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

MMs02255240
NCID-ZINC01602370