MMsINC Database Search


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MMsINC code: MMs01177661

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1ccncc1)C1CC1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.079 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.08541	SlogP: 3.899	Reactive groups: 0

Topological Properties
Globularity: 0.0968754	Sterimol/B1: 3.42831	Sterimol/B2: 3.55866	Sterimol/B3: 4.35356
Sterimol/B4: 6.17401	Sterimol/L: 13.7093

Surface and Volume Properties
Accessible surface: 515.408	Positive charged surface: 332.683	Negative charged surface: 177.344	Volume: 286.25
Hydrophobic surface: 429.807	Hydrophilic surface: 85.601

Pharmacophoric Properties
Hydrogen bond donors: 0	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.