MMsINC Database Search


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MMsINC code: MMs02822446

Type: Neutral
Formula: C₂₃H₂₃N

SMILES:

N1(Cc2c(CC1C)cccc2-c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H23N/c1-18-15-21-13-8-14-22(20-11-6-3-7-12-20)23(21)17-24(18)16-19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0504 kcal/mol

Physical Properties
Molecular Weight: 313.444 g/mol	logS: -5.96169	SlogP: 5.83317	Reactive groups: 0

Topological Properties
Globularity: 0.197005	Sterimol/B1: 3.53233	Sterimol/B2: 4.64184	Sterimol/B3: 5.33888
Sterimol/B4: 7.60149	Sterimol/L: 13.2476

Surface and Volume Properties
Accessible surface: 556.257	Positive charged surface: 343.2	Negative charged surface: 210.234	Volume: 336
Hydrophobic surface: 531.928	Hydrophilic surface: 24.329

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

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Ions/Tautomers related molecules

MMs02822447
PUBCHEM-ZINC01843274