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MMsINC code: MMs00292361

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1cc2c3c([nH]c2cc1)C(=O)NCC3

InChI:

InChI=1/C18H16N2O2/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5549 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -3.97598	SlogP: 3.29917	Reactive groups: 0

Topological Properties
Globularity: 0.0423708	Sterimol/B1: 3.18715	Sterimol/B2: 3.60374	Sterimol/B3: 3.68214
Sterimol/B4: 6.20124	Sterimol/L: 17.1019

Surface and Volume Properties
Accessible surface: 542.223	Positive charged surface: 332.209	Negative charged surface: 204.334	Volume: 279.875
Hydrophobic surface: 425.742	Hydrophilic surface: 116.481

Pharmacophoric Properties
Hydrogen bond donors: 2	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.