MMsINC Database Search


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MMsINC code: MMs02216539

Type: Neutral
Formula: C₁₅H₁₀N₂

SMILES:

n1c2Cc3c(-c2nc2c1cccc2)cccc3

InChI:

InChI=1/C15H10N2/c1-2-6-11-10(5-1)9-14-15(11)17-13-8-4-3-7-12(13)16-14/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5537 kcal/mol

Physical Properties
Molecular Weight: 218.259 g/mol	logS: -3.38961	SlogP: 3.20097	Reactive groups: 0

Topological Properties
Globularity: 0.00535384	Sterimol/B1: 2.37666	Sterimol/B2: 2.38045	Sterimol/B3: 3.80393
Sterimol/B4: 4.28258	Sterimol/L: 14.1837

Surface and Volume Properties
Accessible surface: 429.803	Positive charged surface: 246.791	Negative charged surface: 177.448	Volume: 214.5
Hydrophobic surface: 381.671	Hydrophilic surface: 48.132

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.