MMsINC Database Search


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MMsINC code: MMs02255230

Type: Neutral
Formula: C₁₉H₂₅N₃

SMILES:

n1ccccc1N(Cc1ccccc1)CCN1CCCCC1

InChI:

InChI=1/C19H25N3/c1-3-9-18(10-4-1)17-22(19-11-5-6-12-20-19)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4496 kcal/mol

Physical Properties
Molecular Weight: 295.43 g/mol	logS: -2.78535	SlogP: 3.8405	Reactive groups: 0

Topological Properties
Globularity: 0.0708887	Sterimol/B1: 2.59037	Sterimol/B2: 2.71658	Sterimol/B3: 4.224
Sterimol/B4: 9.62838	Sterimol/L: 14.9614

Surface and Volume Properties
Accessible surface: 572.8	Positive charged surface: 417.689	Negative charged surface: 155.111	Volume: 319.75
Hydrophobic surface: 553.462	Hydrophilic surface: 19.338

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

MMs02255231
NCID-ZINC01602367