MMsINC Database Search


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MMsINC code: MMs02305666

Type: Neutral
Formula: C₂₄H₂₆N₂

SMILES:

[nH]1c2c(cccc2)c(C=2CC(C3c4c(NC3(C=2)C)cccc4)(C)C)c1C

InChI:

InChI=1/C24H26N2/c1-15-21(17-9-5-7-11-19(17)25-15)16-13-23(2,3)22-18-10-6-8-12-20(18)26-24(22,4)14-16/h5-12,14,22,25-26H,13H2,1-4H3/t22-,24+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.362 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -6.03	SlogP: 6.25762	Reactive groups: 0

Topological Properties
Globularity: 0.205557	Sterimol/B1: 2.43558	Sterimol/B2: 4.08059	Sterimol/B3: 5.19932
Sterimol/B4: 8.21661	Sterimol/L: 15.1323

Surface and Volume Properties
Accessible surface: 578.68	Positive charged surface: 365.806	Negative charged surface: 209.678	Volume: 358.625
Hydrophobic surface: 486.767	Hydrophilic surface: 91.913

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.