MMsINC Database Search


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MMsINC code: MMs00897144

Type: Neutral
Formula: C₂₄H₂₂N₂

SMILES:

n1c2cc(C)c(cc2nc(c1-c1ccc(cc1)C)-c1ccc(cc1)C)C

InChI:

InChI=1/C24H22N2/c1-15-5-9-19(10-6-15)23-24(20-11-7-16(2)8-12-20)26-22-14-18(4)17(3)13-21(22)25-23/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.725 kcal/mol

Physical Properties
Molecular Weight: 338.454 g/mol	logS: -7.37012	SlogP: 6.19748	Reactive groups: 0

Topological Properties
Globularity: 0.0367215	Sterimol/B1: 2.54586	Sterimol/B2: 2.81109	Sterimol/B3: 3.42139
Sterimol/B4: 9.35237	Sterimol/L: 15.5319

Surface and Volume Properties
Accessible surface: 622.359	Positive charged surface: 381.111	Negative charged surface: 236.823	Volume: 353.5
Hydrophobic surface: 583.488	Hydrophilic surface: 38.871

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.