MMsINC Database Search


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MMsINC code: MMs00255309

Type: Neutral
Formula: C₁₄H₁₃N

SMILES:

N1Cc2c(Cc3c1cccc3)cccc2

InChI:

InChI=1/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3905 kcal/mol

Physical Properties
Molecular Weight: 195.265 g/mol	logS: -3.10667	SlogP: 3.46927	Reactive groups: 0

Topological Properties
Globularity: 0.0993574	Sterimol/B1: 2.47428	Sterimol/B2: 2.97364	Sterimol/B3: 3.92513
Sterimol/B4: 5.38343	Sterimol/L: 12.2708

Surface and Volume Properties
Accessible surface: 402.269	Positive charged surface: 251.754	Negative charged surface: 150.515	Volume: 206.375
Hydrophobic surface: 371.81	Hydrophilic surface: 30.459

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.