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MMsINC code: MMs01946483

Type: Neutral
Formula: C₂₀H₂₂N₂O

SMILES:

O=C(N(Cc1ccccc1)C)C(Cc1c2c([nH]c1)cccc2)C

InChI:

InChI=1/C20H22N2O/c1-15(12-17-13-21-19-11-7-6-10-18(17)19)20(23)22(2)14-16-8-4-3-5-9-16/h3-11,13,15,21H,12,14H2,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.539 kcal/mol

Physical Properties
Molecular Weight: 306.409 g/mol	logS: -3.62798	SlogP: 4.27147	Reactive groups: 0

Topological Properties
Globularity: 0.0867901	Sterimol/B1: 2.96118	Sterimol/B2: 4.24979	Sterimol/B3: 4.69889
Sterimol/B4: 4.86971	Sterimol/L: 15.6276

Surface and Volume Properties
Accessible surface: 567.635	Positive charged surface: 358.838	Negative charged surface: 206.48	Volume: 319.125
Hydrophobic surface: 477.464	Hydrophilic surface: 90.171

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.