MMsINC Database Search


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MMsINC code: MMs00280053

Type: Neutral
Formula: C₁₅H₂₄N₂

SMILES:

NCCCN1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C15H24N2/c16-9-4-10-17-11-7-15(8-12-17)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4706 kcal/mol

Physical Properties
Molecular Weight: 232.371 g/mol	logS: -2.15309	SlogP: 2.28987	Reactive groups: 0

Topological Properties
Globularity: 0.0660794	Sterimol/B1: 2.71397	Sterimol/B2: 2.93429	Sterimol/B3: 3.95077
Sterimol/B4: 6.48242	Sterimol/L: 15.4086

Surface and Volume Properties
Accessible surface: 504.662	Positive charged surface: 387.767	Negative charged surface: 116.894	Volume: 260.75
Hydrophobic surface: 436.179	Hydrophilic surface: 68.483

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00280054
ASINEX-ZINC02882891