MMsINC Database Search


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MMsINC code: MMs02212779

Type: Tautomer
Formula: C₁₉H₂₄N₂

SMILES:

N(CCCN1Cc2c(Cc3c1cccc3)cccc2)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.139 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.33728	SlogP: 3.81547	Reactive groups: 0

Topological Properties
Globularity: 0.172883	Sterimol/B1: 2.82997	Sterimol/B2: 4.9778	Sterimol/B3: 5.34953
Sterimol/B4: 6.71217	Sterimol/L: 13.6367

Surface and Volume Properties
Accessible surface: 548.943	Positive charged surface: 403.134	Negative charged surface: 145.809	Volume: 304
Hydrophobic surface: 539.749	Hydrophilic surface: 9.194

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

search links for this molecule:

Parent related molecule:

MMs02212778
NCID-ZINC00001972