MMsINC Database Search


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MMsINC code: MMs01844961

Type: Neutral
Formula: C₂₃H₁₉N

SMILES:

n1c2c(cc(cc2)C)c(cc1-c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C23H19N/c1-16-8-11-19(12-9-16)23-15-20(18-6-4-3-5-7-18)21-14-17(2)10-13-22(21)24-23/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.303 kcal/mol

Physical Properties
Molecular Weight: 309.412 g/mol	logS: -7.74282	SlogP: 6.18564	Reactive groups: 0

Topological Properties
Globularity: 0.0261958	Sterimol/B1: 3.02948	Sterimol/B2: 3.16892	Sterimol/B3: 5.91644
Sterimol/B4: 6.19104	Sterimol/L: 15.7046

Surface and Volume Properties
Accessible surface: 588.764	Positive charged surface: 320.865	Negative charged surface: 254.375	Volume: 328.625
Hydrophobic surface: 569.301	Hydrophilic surface: 19.463

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.