MMsINC Database Search


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MMsINC code: MMs02908533

Type: Neutral
Formula: C₂₄H₂₄N₂

SMILES:

n1c2c(n(Cc3ccc(cc3)C(C)C)c1Cc1ccccc1)cccc2

InChI:

InChI=1/C24H24N2/c1-18(2)21-14-12-20(13-15-21)17-26-23-11-7-6-10-22(23)25-24(26)16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.171 kcal/mol

Physical Properties
Molecular Weight: 340.47 g/mol	logS: -6.6056	SlogP: 6.06517	Reactive groups: 0

Topological Properties
Globularity: 0.101359	Sterimol/B1: 3.02366	Sterimol/B2: 3.07987	Sterimol/B3: 4.349
Sterimol/B4: 8.80804	Sterimol/L: 16.8043

Surface and Volume Properties
Accessible surface: 626.218	Positive charged surface: 373.516	Negative charged surface: 252.702	Volume: 362.375
Hydrophobic surface: 559.626	Hydrophilic surface: 66.592

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.