MMsINC Database Search


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MMsINC code: MMs03524225

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

[nH]1c2c(c3cc(ccc13)C)c(ccc2C)C

InChI:

InChI=1/C15H15N/c1-9-4-7-13-12(8-9)14-10(2)5-6-11(3)15(14)16-13/h4-8,16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4898 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -4.62977	SlogP: 4.24636	Reactive groups: 0

Topological Properties
Globularity: 0.0179315	Sterimol/B1: 2.10392	Sterimol/B2: 2.51216	Sterimol/B3: 4.81873
Sterimol/B4: 5.22312	Sterimol/L: 12.8847

Surface and Volume Properties
Accessible surface: 437.027	Positive charged surface: 249.072	Negative charged surface: 176.24	Volume: 224.25
Hydrophobic surface: 421.363	Hydrophilic surface: 15.664

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.