MMsINC Database Search


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MMsINC code: MMs02379708

Type: Neutral
Formula: C₂₃H₃₀N₂

SMILES:

N(C)(C)c1ccc(cc1)C(C1CCCC=C1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H30N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h6,8,10-18,23H,5,7,9H2,1-4H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.723 kcal/mol

Physical Properties
Molecular Weight: 334.507 g/mol	logS: -5.18104	SlogP: 5.3068	Reactive groups: 0

Topological Properties
Globularity: 0.148004	Sterimol/B1: 2.86134	Sterimol/B2: 3.07817	Sterimol/B3: 4.51444
Sterimol/B4: 9.83322	Sterimol/L: 16.0219

Surface and Volume Properties
Accessible surface: 634.212	Positive charged surface: 509.278	Negative charged surface: 124.934	Volume: 368.25
Hydrophobic surface: 610.874	Hydrophilic surface: 23.338

Pharmacophoric Properties
Hydrogen bond donors: 0	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.