MMsINC Database Search


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MMsINC code: MMs02467077

Type: Neutral
Formula: C₂₄H₂₈N₂

SMILES:

N(C)(C)c1ccc(cc1)C(c1ccc(cc1)C)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H28N2/c1-18-6-8-19(9-7-18)24(20-10-14-22(15-11-20)25(2)3)21-12-16-23(17-13-21)26(4)5/h6-17,24H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.142 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -5.47246	SlogP: 5.30722	Reactive groups: 0

Topological Properties
Globularity: 0.160424	Sterimol/B1: 2.19971	Sterimol/B2: 3.17685	Sterimol/B3: 5.09048
Sterimol/B4: 11.1517	Sterimol/L: 15.8325

Surface and Volume Properties
Accessible surface: 644.969	Positive charged surface: 485.339	Negative charged surface: 159.631	Volume: 375.25
Hydrophobic surface: 644.734	Hydrophilic surface: 0.23500000000001

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.