MMsINC Database Search


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MMsINC code: MMs03237195

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(Nc1ccccc1)(C(CCC)CC=C)c1ccccc1

InChI:

InChI=1/C19H24N2/c1-3-11-18(12-4-2)21(19-15-9-6-10-16-19)20-17-13-7-5-8-14-17/h3,5-10,13-16,18,20H,1,4,11-12H2,2H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4097 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.3323	SlogP: 5.2649	Reactive groups: 0

Topological Properties
Globularity: 0.338428	Sterimol/B1: 2.16281	Sterimol/B2: 2.7286	Sterimol/B3: 5.84184
Sterimol/B4: 8.31522	Sterimol/L: 13.583

Surface and Volume Properties
Accessible surface: 526.9	Positive charged surface: 338.737	Negative charged surface: 188.163	Volume: 309.25
Hydrophobic surface: 465.884	Hydrophilic surface: 61.016

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.