MMsINC Database Search


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MMsINC code: MMs03237113

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.236 kcal/mol

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

Topological Properties
Globularity: 0.488932	Sterimol/B1: 2.33939	Sterimol/B2: 2.54173	Sterimol/B3: 7.55355
Sterimol/B4: 8.2352	Sterimol/L: 13.4301

Surface and Volume Properties
Accessible surface: 536.803	Positive charged surface: 331.443	Negative charged surface: 205.36	Volume: 312.625
Hydrophobic surface: 463.563	Hydrophilic surface: 73.24

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.