MMsINC Database Search


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MMsINC code: MMs01181137

Type: Neutral
Formula: C₂₁H₂₀N₂O

SMILES:

O=C(N(Cc1ccccc1C)c1ccccc1C)c1ncccc1

InChI:

InChI=1/C21H20N2O/c1-16-9-3-5-11-18(16)15-23(20-13-6-4-10-17(20)2)21(24)19-12-7-8-14-22-19/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.47 kcal/mol

Physical Properties
Molecular Weight: 316.404 g/mol	logS: -4.54595	SlogP: 4.81184	Reactive groups: 0

Topological Properties
Globularity: 0.226227	Sterimol/B1: 3.25678	Sterimol/B2: 4.24756	Sterimol/B3: 4.86039
Sterimol/B4: 6.48533	Sterimol/L: 13.2626

Surface and Volume Properties
Accessible surface: 524.612	Positive charged surface: 329.415	Negative charged surface: 195.197	Volume: 323.875
Hydrophobic surface: 491.898	Hydrophilic surface: 32.714

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.