MMsINC Database Search


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MMsINC code: MMs03902855

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1cc2c(cc1C(=O)NCc1ncccc1)cccc2

InChI:

InChI=1/C18H16N2O2/c1-22-17-11-14-7-3-2-6-13(14)10-16(17)18(21)20-12-15-8-4-5-9-19-15/h2-11H,12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3713 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.12195	SlogP: 3.4398	Reactive groups: 0

Topological Properties
Globularity: 0.0397612	Sterimol/B1: 2.56531	Sterimol/B2: 3.52412	Sterimol/B3: 3.71835
Sterimol/B4: 9.42619	Sterimol/L: 15.307

Surface and Volume Properties
Accessible surface: 554.42	Positive charged surface: 361.041	Negative charged surface: 181.726	Volume: 286
Hydrophobic surface: 496.14	Hydrophilic surface: 58.28

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.