MMsINC Database Search


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MMsINC code: MMs03165722

Type: Neutral
Formula: C₁₆H₁₅N

SMILES:

n1(c2c(cccc2)cc1)Cc1ccc(cc1)C

InChI:

InChI=1/C16H15N/c1-13-6-8-14(9-7-13)12-17-11-10-15-4-2-3-5-16(15)17/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0436 kcal/mol

Physical Properties
Molecular Weight: 221.303 g/mol	logS: -3.81061	SlogP: 4.26442	Reactive groups: 0

Topological Properties
Globularity: 0.128035	Sterimol/B1: 2.32178	Sterimol/B2: 3.62197	Sterimol/B3: 4.92487
Sterimol/B4: 5.64294	Sterimol/L: 13.1601

Surface and Volume Properties
Accessible surface: 461.112	Positive charged surface: 256.925	Negative charged surface: 197.663	Volume: 240.625
Hydrophobic surface: 436.207	Hydrophilic surface: 24.905

Pharmacophoric Properties
Hydrogen bond donors: 0	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.