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MMsINC code: MMs02878361

Type: Neutral
Formula: C₁₇H₂₁N

SMILES:

N(Cc1ccccc1)C(CCc1ccccc1)C

InChI:

InChI=1/C17H21N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0031 kcal/mol

Physical Properties
Molecular Weight: 239.362 g/mol	logS: -3.48373	SlogP: 4.06387	Reactive groups: 0

Topological Properties
Globularity: 0.0794928	Sterimol/B1: 2.23075	Sterimol/B2: 2.7347	Sterimol/B3: 3.90374
Sterimol/B4: 7.76466	Sterimol/L: 15.3799

Surface and Volume Properties
Accessible surface: 530.053	Positive charged surface: 326.318	Negative charged surface: 203.736	Volume: 273.125
Hydrophobic surface: 493.407	Hydrophilic surface: 36.646

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

MMs02878362
PUBCHEM-ZINC02164236