MMsINC Database Search


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MMsINC code: MMs02389483

Type: Neutral
Formula: C₂₁H₂₁N

SMILES:

N(C)(C)c1ccc(cc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H21N/c1-22(2)20-15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.286 kcal/mol

Physical Properties
Molecular Weight: 287.406 g/mol	logS: -5.07113	SlogP: 4.9328	Reactive groups: 0

Topological Properties
Globularity: 0.165825	Sterimol/B1: 3.3627	Sterimol/B2: 4.9324	Sterimol/B3: 5.06083
Sterimol/B4: 6.60997	Sterimol/L: 13.7161

Surface and Volume Properties
Accessible surface: 553.713	Positive charged surface: 372.085	Negative charged surface: 181.628	Volume: 313.375
Hydrophobic surface: 553.713	Hydrophilic surface: 0

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.