MMsINC Database Search


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MMsINC code: MMs00227512

Type: Neutral
Formula: C₂₄H₂₄N₂

SMILES:

n1(c(ccc1C)C)-c1ccc(cc1)-c1ccc(-n2c(ccc2C)C)cc1

InChI:

InChI=1/C24H24N2/c1-17-5-6-18(2)25(17)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26-19(3)7-8-20(26)4/h5-16H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.503 kcal/mol

Physical Properties
Molecular Weight: 340.47 g/mol	logS: -5.387	SlogP: 6.16868	Reactive groups: 0

Topological Properties
Globularity: 0.0673151	Sterimol/B1: 2.26335	Sterimol/B2: 2.56828	Sterimol/B3: 4.70347
Sterimol/B4: 6.8778	Sterimol/L: 18.7038

Surface and Volume Properties
Accessible surface: 638.745	Positive charged surface: 364.473	Negative charged surface: 263.107	Volume: 366.25
Hydrophobic surface: 622.589	Hydrophilic surface: 16.156

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.