MMsINC Database Search


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MMsINC code: MMs02267105

Type: Neutral
Formula: C₂₄H₁₉N

SMILES:

N(c1c2c(ccc1\C=C\c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H19N/c1-3-9-19(10-4-1)15-16-21-18-17-20-11-7-8-14-23(20)24(21)25-22-12-5-2-6-13-22/h1-18,25H/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.852 kcal/mol

Physical Properties
Molecular Weight: 321.423 g/mol	logS: -7.44381	SlogP: 6.7538	Reactive groups: 0

Topological Properties
Globularity: 0.0775777	Sterimol/B1: 3.10931	Sterimol/B2: 4.66712	Sterimol/B3: 4.99489
Sterimol/B4: 7.04001	Sterimol/L: 16.3993

Surface and Volume Properties
Accessible surface: 596.358	Positive charged surface: 310.631	Negative charged surface: 277.411	Volume: 338.375
Hydrophobic surface: 581.063	Hydrophilic surface: 15.295

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