MMsINC Database Search


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MMsINC code: MMs00264268

Type: Neutral
Formula: C₂₄H₁₉N

SMILES:

n1c(cc(cc1-c1ccccc1)-c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C24H19N/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21/h2-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.154 kcal/mol

Physical Properties
Molecular Weight: 321.423 g/mol	logS: -7.8174	SlogP: 6.39102	Reactive groups: 0

Topological Properties
Globularity: 0.00276463	Sterimol/B1: 2.10341	Sterimol/B2: 2.51223	Sterimol/B3: 7.25998
Sterimol/B4: 7.26075	Sterimol/L: 15.2754

Surface and Volume Properties
Accessible surface: 605.278	Positive charged surface: 288.091	Negative charged surface: 295.382	Volume: 341.375
Hydrophobic surface: 587.143	Hydrophilic surface: 18.135

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.