MMsINC Database Search


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MMsINC code: MMs02890537

Type: Neutral
Formula: C₁₈H₂₃N

SMILES:

NC(C(c1ccccc1)c1ccccc1)CC(C)C

InChI:

InChI=1/C18H23N/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13,19H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.717 kcal/mol

Physical Properties
Molecular Weight: 253.389 g/mol	logS: -4.31315	SlogP: 4.1919	Reactive groups: 0

Topological Properties
Globularity: 0.220717	Sterimol/B1: 3.68994	Sterimol/B2: 3.98023	Sterimol/B3: 4.17206
Sterimol/B4: 6.62834	Sterimol/L: 13.2905

Surface and Volume Properties
Accessible surface: 507.048	Positive charged surface: 323.515	Negative charged surface: 183.533	Volume: 281.625
Hydrophobic surface: 441.775	Hydrophilic surface: 65.273

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: no related molecules available.