MMsINC Database Search


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MMsINC code: MMs02319107

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

N(C(Cc1ccccc1)C)c1ccccc1

InChI:

InChI=1/C15H17N/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2652 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.33792	SlogP: 3.72967	Reactive groups: 0

Topological Properties
Globularity: 0.216097	Sterimol/B1: 2.26355	Sterimol/B2: 3.1978	Sterimol/B3: 4.21892
Sterimol/B4: 7.27201	Sterimol/L: 11.972

Surface and Volume Properties
Accessible surface: 459.629	Positive charged surface: 272.413	Negative charged surface: 187.216	Volume: 235.125
Hydrophobic surface: 432.61	Hydrophilic surface: 27.019

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.