MMsINC Database Search


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MMsINC code: MMs03215337

Type: Neutral
Formula: C₂₅H₁₉N₂+

SMILES:

[n+]1(c2c(ccc3c2nccc3-c2ccccc2)c(cc1)-c1ccccc1)C

InChI:

InChI=1/C25H19N2/c1-27-17-15-21(19-10-6-3-7-11-19)23-13-12-22-20(18-8-4-2-5-9-18)14-16-26-24(22)25(23)27/h2-17H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.037 kcal/mol

Physical Properties
Molecular Weight: 347.441 g/mol	logS: -7.28434	SlogP: 5.9057	Reactive groups: 0

Topological Properties
Globularity: 0.0496453	Sterimol/B1: 2.24922	Sterimol/B2: 3.23687	Sterimol/B3: 3.26682
Sterimol/B4: 9.89289	Sterimol/L: 15.2844

Surface and Volume Properties
Accessible surface: 597.504	Positive charged surface: 379.128	Negative charged surface: 201.869	Volume: 354
Hydrophobic surface: 548.296	Hydrophilic surface: 49.208

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules: no related molecules available.