MMsINC Database Search


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MMsINC code: MMs00272015

Type: Neutral
Formula: C₂₃H₂₄N₂

SMILES:

n1(c2c(cc(cc2)CNc2cc(C)c(cc2)C)c2c1cccc2)CC

InChI:

InChI=1/C23H24N2/c1-4-25-22-8-6-5-7-20(22)21-14-18(10-12-23(21)25)15-24-19-11-9-16(2)17(3)13-19/h5-14,24H,4,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9191 kcal/mol

Physical Properties
Molecular Weight: 328.459 g/mol	logS: -6.25488	SlogP: 6.57614	Reactive groups: 0

Topological Properties
Globularity: 0.0677464	Sterimol/B1: 2.33385	Sterimol/B2: 3.35531	Sterimol/B3: 5.03216
Sterimol/B4: 8.33067	Sterimol/L: 17.9449

Surface and Volume Properties
Accessible surface: 624.244	Positive charged surface: 380.301	Negative charged surface: 234.041	Volume: 351.625
Hydrophobic surface: 584.161	Hydrophilic surface: 40.083

Pharmacophoric Properties
Hydrogen bond donors: 1	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.