MMsINC Database Search


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MMsINC code: MMs00262746

Type: Neutral
Formula: C₂₄H₂₈N₂

SMILES:

N12CCN3C(=CC1(C)C(c1c2cccc1)(C)C)C(c1c3cccc1)(C)C

InChI:

InChI=1/C24H28N2/c1-22(2)17-10-6-8-12-19(17)25-14-15-26-20-13-9-7-11-18(20)23(3,4)24(26,5)16-21(22)25/h6-13,16H,14-15H2,1-5H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.671 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -5.25628	SlogP: 5.2382	Reactive groups: 0

Topological Properties
Globularity: 0.155248	Sterimol/B1: 2.3115	Sterimol/B2: 3.14973	Sterimol/B3: 4.6891
Sterimol/B4: 6.95943	Sterimol/L: 15.4916

Surface and Volume Properties
Accessible surface: 558.505	Positive charged surface: 361.808	Negative charged surface: 196.697	Volume: 361.75
Hydrophobic surface: 472.543	Hydrophilic surface: 85.962

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.