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MMsINC code: MMs00976956

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O=C1N(CCC1)c1cc(ccc1C)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C20H22N2O2/c1-14-5-8-16(9-6-14)13-21-20(24)17-10-7-15(2)18(12-17)22-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4784 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -4.26193	SlogP: 3.62664	Reactive groups: 0

Topological Properties
Globularity: 0.0444341	Sterimol/B1: 3.58146	Sterimol/B2: 4.0516	Sterimol/B3: 4.11395
Sterimol/B4: 5.11928	Sterimol/L: 18.9196

Surface and Volume Properties
Accessible surface: 619.768	Positive charged surface: 382.913	Negative charged surface: 236.855	Volume: 327.75
Hydrophobic surface: 535.576	Hydrophilic surface: 84.192

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.