MMsINC Database Search


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MMsINC code: MMs02819548

Type: Neutral
Formula: C₂₇H₂₈N₂

SMILES:

n1ccn(C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)c1C(C)C

InChI:

InChI=1/C27H28N2/c1-22(2)26-28-18-19-29(26)27(25-16-10-5-11-17-25,20-23-12-6-3-7-13-23)21-24-14-8-4-9-15-24/h3-19,22H,20-21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=463.398 kcal/mol

Physical Properties
Molecular Weight: 380.535 g/mol	logS: -5.70558	SlogP: 6.54694	Reactive groups: 0

Topological Properties
Globularity: 0.349892	Sterimol/B1: 2.68121	Sterimol/B2: 4.49437	Sterimol/B3: 6.65253
Sterimol/B4: 6.78863	Sterimol/L: 13.4264

Surface and Volume Properties
Accessible surface: 559.471	Positive charged surface: 365.183	Negative charged surface: 194.288	Volume: 387.75
Hydrophobic surface: 518.083	Hydrophilic surface: 41.388

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.