MMsINC Database Search


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MMsINC code: MMs00360149

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1(CCN(CC1)Cc1ccccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C19H24N2/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6479 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.54488	SlogP: 3.84562	Reactive groups: 0

Topological Properties
Globularity: 0.0762901	Sterimol/B1: 2.90127	Sterimol/B2: 3.09135	Sterimol/B3: 4.00818
Sterimol/B4: 7.25168	Sterimol/L: 16.2253

Surface and Volume Properties
Accessible surface: 565.338	Positive charged surface: 391.308	Negative charged surface: 174.03	Volume: 308.75
Hydrophobic surface: 551.218	Hydrophilic surface: 14.12

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

MMs00360150
ASINEX-ZINC04690854