MMsINC Database Search


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MMsINC code: MMs03250192

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

N(=C\c1ccccc1)/C(C)c1ccccc1

InChI:

InChI=1/C15H15N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-13H,1H3/b16-12+/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3284 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.58087	SlogP: 3.9622	Reactive groups: 0

Topological Properties
Globularity: 0.125243	Sterimol/B1: 2.21501	Sterimol/B2: 2.22978	Sterimol/B3: 5.18009
Sterimol/B4: 6.28982	Sterimol/L: 13.7903

Surface and Volume Properties
Accessible surface: 471.159	Positive charged surface: 277.361	Negative charged surface: 193.798	Volume: 230.75
Hydrophobic surface: 436.597	Hydrophilic surface: 34.562

Pharmacophoric Properties
Hydrogen bond donors: 0	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.