MMsINC Database Search


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MMsINC code: MMs02650974

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1(CCN(CC1)Cc1ccccc1C)c1ccccc1C

InChI:

InChI=1/C19H24N2/c1-16-7-3-5-9-18(16)15-20-11-13-21(14-12-20)19-10-6-4-8-17(19)2/h3-10H,11-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.202 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.76131	SlogP: 3.89204	Reactive groups: 0

Topological Properties
Globularity: 0.127943	Sterimol/B1: 2.80466	Sterimol/B2: 3.03427	Sterimol/B3: 5.0182
Sterimol/B4: 5.91503	Sterimol/L: 15.4148

Surface and Volume Properties
Accessible surface: 542.15	Positive charged surface: 365.833	Negative charged surface: 176.317	Volume: 306.25
Hydrophobic surface: 526.836	Hydrophilic surface: 15.314

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

MMs02650975
PUBCHEM-ZINC00292258