MMsINC Database Search


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MMsINC code: MMs02862569

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

NC1Cc2c(Cc3c1cccc3)cccc2

InChI:

InChI=1/C15H15N/c16-15-10-12-6-2-1-5-11(12)9-13-7-3-4-8-14(13)15/h1-8,15H,9-10,16H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3664 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.35005	SlogP: 2.92874	Reactive groups: 0

Topological Properties
Globularity: 0.0327883	Sterimol/B1: 2.88959	Sterimol/B2: 3.00142	Sterimol/B3: 3.40031
Sterimol/B4: 5.95976	Sterimol/L: 12.841

Surface and Volume Properties
Accessible surface: 411.928	Positive charged surface: 258.101	Negative charged surface: 153.827	Volume: 218.75
Hydrophobic surface: 362.233	Hydrophilic surface: 49.695

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

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.