MMsINC Database Search


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MMsINC code: MMs02277147

Type: Neutral
Formula: C₂₅H₂₅N

SMILES:

N#Cc1ccc(cc1)CC(CCCC)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H25N/c1-2-3-18-25(23-10-6-4-7-11-23,24-12-8-5-9-13-24)19-21-14-16-22(20-26)17-15-21/h4-17H,2-3,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.105 kcal/mol

Physical Properties
Molecular Weight: 339.482 g/mol	logS: -7.93045	SlogP: 6.27725	Reactive groups: 0

Topological Properties
Globularity: 0.255356	Sterimol/B1: 2.32094	Sterimol/B2: 3.86338	Sterimol/B3: 5.0882
Sterimol/B4: 10.4669	Sterimol/L: 15.5821

Surface and Volume Properties
Accessible surface: 607.637	Positive charged surface: 362.421	Negative charged surface: 245.216	Volume: 368.75
Hydrophobic surface: 506.616	Hydrophilic surface: 101.021

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.