MMsINC Database Search


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MMsINC code: MMs01050963

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O=C1N(Cc2c1cccc2)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C18H18N2O2/c21-17(19-11-10-14-6-2-1-3-7-14)13-20-12-15-8-4-5-9-16(15)18(20)22/h1-9H,10-13H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3229 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.54936	SlogP: 2.26767	Reactive groups: 0

Topological Properties
Globularity: 0.070471	Sterimol/B1: 2.41072	Sterimol/B2: 3.32383	Sterimol/B3: 4.46796
Sterimol/B4: 5.39277	Sterimol/L: 18.0418

Surface and Volume Properties
Accessible surface: 575.089	Positive charged surface: 351.865	Negative charged surface: 223.224	Volume: 292.875
Hydrophobic surface: 481.288	Hydrophilic surface: 93.801

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.