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MMsINC code: MMs00482610

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

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

InChI:

InChI=1/C18H18N2O2/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17/h1-9,11,16,20H,10,12,19H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3439 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.57724	SlogP: 3.04747	Reactive groups: 0

Topological Properties
Globularity: 0.0702851	Sterimol/B1: 3.40058	Sterimol/B2: 3.59144	Sterimol/B3: 3.7489
Sterimol/B4: 6.84881	Sterimol/L: 15.5014

Surface and Volume Properties
Accessible surface: 566.746	Positive charged surface: 340.611	Negative charged surface: 221.122	Volume: 293.75
Hydrophobic surface: 439.055	Hydrophilic surface: 127.691

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs00482611
BACHEM-ZINC01736286