MMsINC Database Search


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MMsINC code: MMs02384126

Type: Neutral
Formula: C₁₄H₁₁N

SMILES:

n1c2c(cc(cc2)C)cc2c1cccc2

InChI:

InChI=1/C14H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3764 kcal/mol

Physical Properties
Molecular Weight: 193.249 g/mol	logS: -4.29402	SlogP: 3.69642	Reactive groups: 0

Topological Properties
Globularity: 0.00601283	Sterimol/B1: 2.10264	Sterimol/B2: 2.51211	Sterimol/B3: 3.33722
Sterimol/B4: 5.0791	Sterimol/L: 13.2619

Surface and Volume Properties
Accessible surface: 404.969	Positive charged surface: 220.938	Negative charged surface: 173.403	Volume: 200.25
Hydrophobic surface: 377.841	Hydrophilic surface: 27.128

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.