MMsINC Database Search


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MMsINC code: MMs02382065

Type: Neutral
Formula: C₂₁H₂₁N

SMILES:

N(Cc1ccccc1)(Cc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C21H21N/c1-18-12-14-21(15-13-18)22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9357 kcal/mol

Physical Properties
Molecular Weight: 287.406 g/mol	logS: -5.32201	SlogP: 5.73462	Reactive groups: 0

Topological Properties
Globularity: 0.119844	Sterimol/B1: 1.969	Sterimol/B2: 3.38788	Sterimol/B3: 3.38918
Sterimol/B4: 10.4229	Sterimol/L: 14.3624

Surface and Volume Properties
Accessible surface: 555.283	Positive charged surface: 315.652	Negative charged surface: 239.631	Volume: 313
Hydrophobic surface: 539.534	Hydrophilic surface: 15.749

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.