MMsINC Database Search


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MMsINC code: MMs02346393

Type: Neutral
Formula: C₂₁H₂₂N₂

SMILES:

N(NCc1ccccc1)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C21H22N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.033 kcal/mol

Physical Properties
Molecular Weight: 302.421 g/mol	logS: -4.25248	SlogP: 5.1928	Reactive groups: 0

Topological Properties
Globularity: 0.142176	Sterimol/B1: 2.55108	Sterimol/B2: 3.7334	Sterimol/B3: 3.73897
Sterimol/B4: 9.60439	Sterimol/L: 13.9894

Surface and Volume Properties
Accessible surface: 561.143	Positive charged surface: 335.465	Negative charged surface: 225.678	Volume: 329.875
Hydrophobic surface: 536.823	Hydrophilic surface: 24.32

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02346394
NCID-ZINC01721759