MMsINC Database Search


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MMsINC code: MMs02248575

Type: Neutral
Formula: C₂₃H₃₂N₂

SMILES:

N(CC)(CC)c1ccc(cc1)C(=CC)c1ccc(N(CC)CC)cc1

InChI:

InChI=1/C23H32N2/c1-6-23(19-11-15-21(16-12-19)24(7-2)8-3)20-13-17-22(18-14-20)25(9-4)10-5/h6,11-18H,7-10H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.688 kcal/mol

Physical Properties
Molecular Weight: 336.523 g/mol	logS: -5.75312	SlogP: 5.64789	Reactive groups: 0

Topological Properties
Globularity: 0.100538	Sterimol/B1: 2.27477	Sterimol/B2: 3.61609	Sterimol/B3: 5.1694
Sterimol/B4: 9.7026	Sterimol/L: 17.3373

Surface and Volume Properties
Accessible surface: 671.36	Positive charged surface: 471.522	Negative charged surface: 199.838	Volume: 385
Hydrophobic surface: 539.822	Hydrophilic surface: 131.538

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.