MMsINC Database Search


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MMsINC code: MMs00396668

Type: Neutral
Formula: C₂₅H₁₆N₂

SMILES:

n1c2c(cccc2)c(-n2c3c(c4c2cccc4)cccc3)c2c1cccc2

InChI:

InChI=1/C25H16N2/c1-5-13-21-19(11-1)25(20-12-2-6-14-22(20)26-21)27-23-15-7-3-9-17(23)18-10-4-8-16-24(18)27/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.446 kcal/mol

Physical Properties
Molecular Weight: 344.417 g/mol	logS: -7.67455	SlogP: 6.4851	Reactive groups: 0

Topological Properties
Globularity: 0.460366	Sterimol/B1: 2.44086	Sterimol/B2: 5.91856	Sterimol/B3: 6.01543
Sterimol/B4: 9.62326	Sterimol/L: 12.5206

Surface and Volume Properties
Accessible surface: 580.823	Positive charged surface: 304.173	Negative charged surface: 267.297	Volume: 344.75
Hydrophobic surface: 555.895	Hydrophilic surface: 24.928

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: 0

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Ions/Tautomers related molecules: no related molecules available.